SCHEMBL7676345

SCHEMBL7676345

Cc1ccc(C(=O)Nc2c(C)ccc(C)c2C#N)c(C(=O)NCC2CC2)n1

nearest known ligand 0.38

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
MAPK14 Q16539 8/20 0.37
PTGER4 P35408 3/20 0.37
CNR1 P21554 6/20 0.36
CNR2 P34972 5/20 0.36
MAPK11 Q15759 1/20 0.36
KIT P10721 1/20 0.35
CD38 P28907 1/20 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
SCHEMBL7678800 0.82 ALDH1A1 (0.37) ALDH1A1PTGER4CNR1CNR2
SCHEMBL7679461 0.82 CNR1 (0.39) MAPK14PTGER4CNR1CNR2KIT
SCHEMBL7685451 0.81 CNR1 (0.43) CNR1CNR2
SCHEMBL678914 0.79 P2RX7 (0.38) MAPK14CNR1CNR2
SCHEMBL7675254 0.79 POLB (0.39) MAPK14PTGER4CNR1CNR2KIT
SCHEMBL7675255 0.78 CNR1 (0.40) MAPK14PTGER4CNR1CNR2KIT
SCHEMBL12808578 0.78 PAK1 (0.36) MAPK14CNR1CNR2KIT
SCHEMBL7677655 0.78 CNR2 (0.40) MAPK14CNR1CNR2
SCHEMBL7680123 0.77 THRB (0.38) ALDH1A1MAPK14PTGER4CNR1CNR2
SCHEMBL6742425 0.77 THRB (0.38) ALDH1A1MAPK14CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6472349-B1 Pyridine-2,3-dicarboxylic acid diamides BASF AKTIENGESELLSCHAFT (DE) 2002-10-29 US claimed