SCHEMBL1343597

SCHEMBL1343597

N#CC(CCc1ccccc1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACP3 P15309 1/20 0.44
KCNH2 Q12809 3/20 0.43
TRPA1 O75762 1/20 0.42
TSHR P16473 1/20 0.42
SLC6A4 P31645 3/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A3 Q01959 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2D6 P10635 1/20 0.40
CTSC P53634 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP19A1 P11511 1/20 0.39
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
ALDH1A1 P00352 2/20 0.39
MEN1 O00255 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
KMT2A Q03164 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17996055 0.96 ACP3 (0.42) ACP3KCNH2TRPA1TSHRSLC6A4
SCHEMBL1344083 0.89 KCNH2 (0.46) KCNH2TRPA1TSHRSLC6A4SLC6A2
SCHEMBL31447688 0.88 LMNA (0.42) SLC6A4SLC6A2SLC6A3CYP3A4CYP19A1
SCHEMBL31447642 0.88 ALDH1A1 (0.42) ACP3CYP3A4CTSCCYP19A1ESR1
SCHEMBL31447866 0.88 SMN1; SMN2 (0.41) ACP3TRPA1TSHRCYP3A4CTSC
SCHEMBL11365488 0.88 SLC6A3 (0.43) SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6
SCHEMBL9149175 0.88 SLC6A2 (0.47) SLC6A4SLC6A2SLC6A3CYP3A4CYP2D6
SCHEMBL8938075 0.88 CCR1 (0.47) TRPA1SLC6A4SLC6A2SLC6A3CYP3A4
SCHEMBL31447805 0.88 CCR1 (0.44) SLC6A4SLC6A2SLC6A3CYP3A4ESR1
SCHEMBL11782475 0.88 HTR2A (0.41) ACP3TRPA1TSHRCYP3A4SIGMAR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 21 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119707744-A Method for catalytic synthesis of alpha-alkyl butyronitrile compound 常州大学 2025-03-28 CN disclosed
WO-2013143597-A1 DEMETHYLASE ENZYMES INHIBITORS GLAXO GROUP LIMITED (GB) 2013-10-03 WO disclosed
WO-2013143597-A1 DEMETHYLASE ENZYMES INHIBITORS GLAXO GROUP LIMITED (GB) 2013-10-03 WO disclosed
WO-2012159981-A2 PROCESS FOR THE PREPARATION OF α-SUBSTITUTED KETONES AND THEIR APPLICATION IN SYNTHESIS OF PHARMACEUTICALLY ACTIVE COMPOUNDS LEK PHARMACEUTICALS D.D. (SI) 2012-11-29 WO disclosed
EP-2524908-A1 Process for the preparation of alfa-substituted ketones and their application in synthesis of pharmaceutically active compounds LEK Pharmaceuticals d.d. (SI) 2012-11-21 EP disclosed
US-8062429-B2 Methods of cleaning semiconductor devices at the back end of line using amidoxime compositions EKC TECHNOLOGY, INC. (US) 2011-11-22 US disclosed
US-20100105595-A1 COMPOSITION COMPRISING CHELATING AGENTS CONTAINING AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC. 2010-04-29 US disclosed
US-20100043823-A1 METHODS OF CLEANING SEMICONDUCTOR DEVICES AT THE BACK END OF LINE USING AMIDOXIME COMOSITIONS U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS NOTES COLLATERAL AGENT 2010-02-25 US disclosed
WO-2009085072-A1 COMPOSITION COMPRISING CHELATING AGENTS CONTAINING AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC (US) 2009-07-09 WO disclosed
US-20090133716-A1 METHODS OF POST CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING USING AMIDOXIME COMPOSITIONS EKC TECHNOLOGY, INC. 2009-05-28 US disclosed
US-20090130849-A1 CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING COMPOSITION COMPRISING AMIDOXIME COMPOUNDS AND ASSOCIATED METHOD FOR USE EKC TECHNOLOGY, INC. 2009-05-21 US disclosed
WO-2009058274-A1 CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING COMPOSITION COMPRISING AMIDOXIME COMPOUNDS AND ASSOCIATED METHOD FOR USE EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed
WO-2009058272-A1 COPPER CMP POLISHING PAD CLEANING COMPOSITION COMPRISING OF AMIDOXIME COMPOUNDS EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed
WO-2009058288-A1 AMIDOXIME COMPOUNDS AS CHELATING AGENTS IN SEMICONDUCTOR PROCESSES EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed
WO-2009058275-A1 METHODS OF POST CHEMICAL MECHANICAL POLISHING AND WAFER CLEANING USING AMIDOXIME COMPOSITIONS EKC TECHNOLOGY, INC. (US) 2009-05-07 WO disclosed
US-20090107520-A1 AMIDOXIME COMPOUNDS AS CHELATING AGENTS IN SEMICONDUCTOR PROCESSES EKC TECHNOLOGY, INC. 2009-04-30 US disclosed
US-4564641-A ANTIDEPRESSANTS BASF AKTIENGESELLSCHAFT (DE) 1986-01-14 US disclosed
EP-0110253-B1 SUBSTITUTED 1-OXO-2-PHENYL-2-(2-ALKYLAMINOETHYL)-1,2,3,4-TETRAHYDRONAPHTHALENES, THEIR PREPARATION AND USE BASF Aktiengesellschaft (DE) 1985-11-06 EP disclosed
EP-0110253-A1 Substituted 1-oxo-2-phenyl-2-(2-alkylaminoethyl)-1,2,3,4-tetrahydronaphthalenes, their preparation and use BASF Aktiengesellschaft (DE) 1984-06-13 EP disclosed
US-3988454-A ANTIARRHYTHMICS MERCK & CO., INC. (US) 1976-10-26 US disclosed