SCHEMBL453393

SCHEMBL453393

NC(CO)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNN4 O15554 2/20 0.52
TAAR1 Q96RJ0 1/20 0.42
KDM4E B2RXH2 1/20 0.42
POLB P06746 1/20 0.42
CYP1A2 P05177 2/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
CYP2D6 P10635 1/20 0.40
KIF11 P52732 4/20 0.39
MAPT P10636 1/20 0.39
KMT2A Q03164 1/20 0.39
TSHR P16473 3/20 0.39
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38

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
Hydrochloric Acid SCHEMBL10685401 0.97 KCNN4 (0.50) KCNN4TAAR1KDM4EPOLBCYP1A2
SCHEMBL29001565 0.87 KCNN4 (0.53) KCNN4POLBKIF11KMT2AALDH1A1
SCHEMBL29001568 0.87 KIF11 (0.50) KCNN4KIF11KMT2ATSHR
SCHEMBL29001564 0.87 KIF11 (0.50) KCNN4CYP1A2KIF11KMT2ATSHR
SCHEMBL6047551 0.81 KCNN4 (0.50) KCNN4TAAR1KDM4EPOLBCYP1A2
SCHEMBL2790361 0.81 KCNN4 (0.50) KCNN4TAAR1KDM4EPOLBCYP1A2
SCHEMBL1455824 0.79 TAAR1 (0.50) KCNN4TAAR1KDM4EPOLBCYP1A2
SCHEMBL1456007 0.79 TAAR1 (0.50) KCNN4TAAR1KDM4EPOLBCYP1A2
SCHEMBL19614367 0.79 KCNN4 (0.48) KCNN4TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL744277 0.79 TAAR1 (0.50) KCNN4TAAR1KDM4EPOLBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114836486-B Method for synthesizing chiral beta-amino alcohol by enzyme catalysis 湖北大学 2023-05-12 CN claimed
CN-114836486-A Method for synthesizing chiral beta-amino alcohol by enzyme catalysis 湖北大学 2022-08-02 CN claimed
CN-1087348-C Pacemate separation of primary and secondary heteroatom-substituted amine by enzyme-catalysed acylation BASF AG (DE) 2002-07-10 CN claimed
JP-3097780-A None JP disclosed
US-20250381762-A1 VERMICULITE LAMINATED FILM FOR VACUUM INSULATION PANEL, VACUUM INSULATION PANEL HAVING THE SAME AND REFRIGERATOR SAMSUNG ELECTRONICS CO LTD (KR) 2025-12-18 US disclosed
CN-111909083-B Inhibitors of histone demethylase 赛尔基因昆蒂赛尔研究公司 2023-08-15 CN disclosed
CN-116203180-A Quality control method of ephedra herb medicine 石家庄以岭药业股份有限公司 2023-06-02 CN disclosed
CN-116165321-A Quality control method of houttuynia cordata medicinal material 石家庄以岭药业股份有限公司 2023-05-26 CN disclosed
CN-114836486-B Method for synthesizing chiral beta-amino alcohol by enzyme catalysis 湖北大学 2023-05-12 CN disclosed
CN-115611878-A 3-arylamine (acylamino) pyridine oxazoline chiral ligand and preparation and application thereof 贵州大学 2023-01-17 CN disclosed
CN-114836486-A Method for synthesizing chiral beta-amino alcohol by enzyme catalysis 湖北大学 2022-08-02 CN disclosed
EP-0988295-A4 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMA CORP (US) 2003-08-13 EP disclosed
US-6159990-A Oxazolidinones as α1A receptor antagonists SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-12-12 US disclosed
EP-0988295-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 2000-03-29 EP disclosed
WO-1999062889-A1 NOVEL 8-AMINO-1,4-BENZOXAZINE COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1999-12-09 WO disclosed
WO-1998057940-A1 HETEROCYCLIC SUBSTITUTED PIPERIDINES AND USES THEREOF SYNAPTIC PHARMACEUTICAL CORPORATION (US) 1998-12-23 WO disclosed
EP-0619816-A1 A PROCESS FOR THE RESOLUTION OF (+-)-ALPHA-[2-[ACETYL(1-METHYLETHYL)AMINO]ETHYL]-ALPHA-(2-CHLOROPHENYL)-1-PIPERIDINEBUTANAMIDE G.D. SEARLE & CO. (US) 1994-10-19 EP disclosed
WO-1993013087-A1 A PROCESS FOR THE RESOLUTION OF (+-)-α-[2-[ACETYL(1-METHYLETHYL)AMINO]ETHYL]-α-(2-CHLOROPHENYL)-1-PIPERIDINEBUTANAMIDE G.D. SEARLE & CO. (US) 1993-07-08 WO disclosed
JP-H0397780-A BONDING COMPOSITION TOYODA GOSEI CO LTD 1991-04-23 JP disclosed
EP-0139358-B1 N6-SUBSTITUTED DIARYLALKYL ADENOSINES, PROCESSES FOR THEIR PRODUCTION AND PHARMACEUTICAL COMPOSITIONS COMPRISING THE SAME WARNER-LAMBERT COMPANY (US) 1988-11-09 EP disclosed