SCHEMBL4016724

SCHEMBL4016724

CCCCc1nc(=O)c(-c2ccc3c(c2)CCO3)c(C)n1Cc1ccc(-c2ccccc2C#N)cc1F

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GNRHR P30968 6/20 0.39
EED O75530 1/20 0.36
RBBP4 Q09028 1/20 0.36
SUZ12 Q15022 1/20 0.36
EZH2 Q15910 1/20 0.36
AEBP2 Q6ZN18 1/20 0.36
AGTR1 P30556 3/20 0.35
AGTR2 P50052 3/20 0.35
PPARG P37231 1/20 0.35
ACHE P22303 1/20 0.35
FABP4 P15090 1/20 0.34
SLC33A1 O00400 1/20 0.34
GPR84 Q9NQS5 1/20 0.33

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
SCHEMBL1886920 0.91 AGTR1 (0.37) GNRHREEDRBBP4SUZ12EZH2
SCHEMBL4013058 0.89 PPARG (0.46) AGTR1AGTR2PPARGACHE
SCHEMBL4011357 0.86 AGTR1 (0.40) AGTR1AGTR2PPARGACHE
SCHEMBL14207794 0.84 GNRHR (0.36) GNRHREEDRBBP4SUZ12EZH2
SCHEMBL1897246 0.80 PPARG (0.47) AGTR1PPARGACHE
SCHEMBL4012701 0.78 PPARG (0.51) AGTR1AGTR2PPARGACHEFABP4
SCHEMBL12348686 0.77 SLC33A1 (0.38) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL1888339 0.77 PPARG (0.50) AGTR1PPARGSLC33A1
SCHEMBL12348764 0.77 SLC33A1 (0.38) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL1891328 0.77 AGTR1 (0.43) AGTR1AGTR2PPARGACHE

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2074117-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2009-07-01 EP disclosed
WO-2008062905-A2 HETEROMONOCYCLIC COMPOUND AND USE THEREOF TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-05-29 WO disclosed