SCHEMBL1697263

SCHEMBL1697263

C1=C(C2=NCCCCCCC2)CCCCCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNB4 P30926 10/20 0.44
CHRNA3 P32297 10/20 0.44
ALOX15 P16050 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NOS3 P29474 4/20 0.37
NOS1 P29475 4/20 0.37
NOS2 P35228 4/20 0.37
TDP1 Q9NUW8 1/20 0.35
CHRNA7 P36544 1/20 0.35
LMNA P02545 1/20 0.35
PSMB5 P28074 2/20 0.35

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
SCHEMBL2388999 1.00 CHRNB4 (0.44) CHRNB4CHRNA3ALOX15SMN1; SMN2NOS3
SCHEMBL1697262 1.00 CHRNB4 (0.44) CHRNB4CHRNA3ALOX15SMN1; SMN2NOS3
SCHEMBL2331460 1.00 CHRNB4 (0.44) CHRNB4CHRNA3ALOX15SMN1; SMN2NOS3
SCHEMBL2388996 1.00 CHRNB4 (0.44) CHRNB4CHRNA3ALOX15SMN1; SMN2NOS3
SCHEMBL2331456 1.00 CHRNB4 (0.44) CHRNB4CHRNA3ALOX15SMN1; SMN2NOS3
SCHEMBL3141751 1.00 CHRNB4 (0.44) CHRNB4CHRNA3ALOX15SMN1; SMN2NOS3
Bromide SCHEMBL28412921 0.98 CHRNB4 (0.42) CHRNB4CHRNA3ALOX15SMN1; SMN2NOS3
SCHEMBL9322982 0.98 CHRNB4 (0.45) CHRNB4CHRNA3ALOX15SMN1; SMN2NOS3
SCHEMBL4771296 0.94 CHRNB4 (0.41) CHRNB4CHRNA3ALOX15SMN1; SMN2TDP1
Bicarbonate SCHEMBL9626193 0.91 CHRNB4 (0.42) CHRNB4CHRNA3ALOX15SMN1; SMN2CHRNA7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111372931-B Heterocyclic compounds as protein kinase inhibitors 怡诺安有限公司 2023-03-24 CN claimed
CN-109962289-A Electrolyte composition and metal ion battery comprising it 财团法人工业技术研究院 2019-07-02 CN disclosed
CN-109937038-A Dicyclic nitrogen-containing heterocycle compound 田边三菱制药株式会社 2019-06-25 CN disclosed
CN-109476606-A Benzosultams and analogs and their use as fungicides 拜耳作物科学股份公司 2019-03-15 CN disclosed
CN-106350098-A Process for removing metals from hydrocarbons 英国贝尔法斯特女王大学 2017-01-25 CN disclosed
EP-2964629-A1 ALKOXIMINO-SUBSTITUTED ANTHRANILIC ACID DIAMIDES AS PESTICIDES Bayer CropScience Aktiengesellschaft (DE) 2016-01-13 EP disclosed
WO-2014135588-A1 ALKOXIMINO-SUBSTITUTED ANTHRANILIC ACID DIAMIDES AS PESTICIDES BAYER CROPSCIENCE AG (DE) 2014-09-12 WO disclosed
EP-2675789-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-8,8-DIFLUORO-HYDROXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONES FOR THERAPY AND HALOGEN-SUBSTITUTED SPIROCYCLIC KETOENOLS Bayer Intellectual Property GmbH (DE) 2013-12-25 EP disclosed
EP-2675788-A1 SUBSTITUTED 3-(BIPHENYL-3-YL)-8,8-DIFLUORO-4-HYDROXY-1-AZASPIRO[4.5]DEC-3-EN-2-ONES FOR THERAPY Bayer Intellectual Property GmbH (DE) 2013-12-25 EP disclosed
EP-2585449-A1 PROCESS FOR THE PREPARATION OF 5-SUBSTITUTED 1-ALKYLTETRAZOLYL OXIME DERIVATIVES Bayer Intellectual Property GmbH (DE) 2013-05-01 EP disclosed
WO-1996024591-A1 CYCLOALKYLSULPHONYL-AMINOSULPHONYL UREAS BAYER AKTIENGESELLSCHAFT (DE) 1996-08-15 WO disclosed
WO-1996022983-A1 SUBSTITUTED ARYLAZADIOXACYCLO ALKENE FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-08-01 WO disclosed
WO-1996017825-A1 SUBSTITUTED CARBOXYLIC ACID AMIDES AND THEIR USE AS FUNGICIDES BAYER AKTIENGESELLSCHAFT (DE) 1996-06-13 WO disclosed
US-5502172-A PRINTING AND DYEING BAYER AKTIENGESELLSCHAFT (DE) 1996-03-26 US disclosed
US-5446136-A Colorfastness, receptivity; dyeing fibers, woven fabrics, knit fabrics BAYER AKTIENGESELLSCHAFT (DE) 1995-08-29 US disclosed
EP-0505469-B1 PROCESS FOR MAKING A MULTI-LAYER PROTECTIVE AND/OR DECORATIVE COATING BASF Lacke + Farben AG (DE) 1993-09-22 EP disclosed
EP-0505469-A1 PROCESS FOR MAKING A MULTI-LAYER PROTECTIVE AND/OR DECORATIVE COATING. BASF LACKE & FARBEN (DE) 1992-09-30 EP disclosed
EP-0370293-A2 Substituted triazolinones BAYER AG (DE) 1990-05-30 EP disclosed
EP-0278311-A1 2-Aminomethyl tetrahydrofuranes BAYER AG (DE) 1988-08-17 EP disclosed
EP-0278352-A2 Aminomethyl-tetrahydro-furanes BAYER AG (DE) 1988-08-17 EP disclosed