SCHEMBL2302782

SCHEMBL2302782

CCCCC=Cc1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 2/20 0.64
CHRNA4 P43681 2/20 0.64
MEN1 O00255 2/20 0.64
KMT2A Q03164 2/20 0.64
CHRNB4 P30926 1/20 0.64
CHRNA3 P32297 1/20 0.64
CHRNA7 P36544 1/20 0.64
CYP2D6 P10635 1/20 0.64
CYP2C9 P11712 1/20 0.64
ALOX15 P16050 1/20 0.64
CYP2C19 P33261 1/20 0.64
TBXAS1 P24557 1/20 0.61
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
NPC1 O15118 2/20 0.46
RAB9A P51151 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
KDM4E B2RXH2 1/20 0.46
JUN P05412 1/20 0.46

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
SCHEMBL6966605 1.00 CHRNB2 (0.64) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL7520275 1.00 CHRNB2 (0.64) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL2002836 0.93 TBXAS1 (0.62) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL29187188 0.93 TBXAS1 (0.62) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL27624949 0.93 TBXAS1 (0.62) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL2002837 0.93 TBXAS1 (0.62) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL10981660 0.93 TBXAS1 (0.62) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL10984953 0.93 TBXAS1 (0.62) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL10984950 0.93 TBXAS1 (0.62) CHRNB2CHRNA4MEN1KMT2ACHRNB4
SCHEMBL10981662 0.93 TBXAS1 (0.62) CHRNB2CHRNA4MEN1KMT2ACHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4759762-B2 2011-08-31 JP claimed
EP-0891331-B1 N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY VERTEX PHARMA (US) 2003-10-01 EP claimed
EP-1171127-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATIVES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION Targacept, Inc. (US) 2002-01-16 EP claimed
WO-2000062767-A2 PHARMACEUTICAL COMPOSITIONS CONTAINING PYRIDINE OR PYRIMIDINE DERIVATES FOR INHIBITION OF CYTOKINE PRODUCTION AND SECRETION TARGACEPT, INC. (US) 2000-10-26 WO claimed
EP-0891331-A1 N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY Vertex Pharmaceuticals Incorporated (US) 1999-01-20 EP claimed
US-5717092-A Compounds with improved multi-drug resistance activity VERTEX PHARMACEUTICALS INC. (US) 1998-02-10 US claimed
WO-1997036869-A1 N-(2 OXOACETYL OR SULPHONYL)-PYRROLIDINE/PIPERIDINE-2-CARBOXYLIC ACID DERIVATIVES WITH IMPROVED MULTI-DRUG RESISTANCE ACTIVITY VERTEX PHARMACEUTICALS INCORPORATED (US) 1997-10-09 WO claimed
US-20240044876-A1 IDENTIFYING NEW THERAPEUTIC AGENTS WARP DRIVE BIO, INC. 2024-02-08 US disclosed
US-11644460-B2 Identifying new therapeutic agents Revolution Medicines, Inc. (US) 2023-05-09 US disclosed
US-10989710-B2 Identifying new therapeutic agents Revolution Medicines, Inc. (US) 2021-04-27 US disclosed
US-10203323-B2 Identifying new therapeutic agents WARP DRIVE BIO, INC. (US) 2019-02-12 US disclosed
US-20160341719-A1 IDENTIFYING NEW THERAPEUTIC AGENTS WILMINGTON TRUST, NATIONAL ASSOCIATION, AS AGENT 2016-11-24 US disclosed
US-9428845-B1 Identifying new therapeutic agents WARP DRIVE BIO, INC. (US) 2016-08-30 US disclosed
CN-1021344-C IMPROVED LUBRICANT COMPOSITIONS FOR LOW-TEMP INTERNAL COMBUSTION ENGINE EXXON CHEMICAL PATENTS INC (US) 1993-06-23 CN disclosed
CN-1020749-C Modified lubricant composition for saving fuel EXXON CHEMICAL PATENTS INC (US) 1993-05-19 CN disclosed
CN-1060676-A Contain inferior p and s mix products and method for making and application EXXON CHEMICAL PATENTS INC (US) 1992-04-29 CN disclosed
CN-1053810-A A kind of new ethylene alpha-olefin polymer substituted amine dispersant additives EXXON CHEMICAL PATENTS INC (US) 1991-08-14 CN disclosed
CN-1008532-B IMPROVED PROCESS FOR PREPARING STABLE OLEAGINOUS COMPOSITIONS EXXON CHEMICAL PATENTS INC (US) 1990-06-27 CN disclosed
CN-1034753-A Improved lubricant compositions for low-temp internal combustion engine EXXON CHEMICAL PATENTS INC (US) 1989-08-16 CN disclosed
CN-88103104-A Prepare improving one's methods of stable oleaginous composition 1988-12-07 CN disclosed