SCHEMBL7682637

SCHEMBL7682637

COC(=O)c1c(C)cccc1NC(=O)c1ccc(C)nc1C(=O)NCC1CC1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 16/20 0.45
CNR2 P34972 11/20 0.45
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C9 P11712 2/20 0.39
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
CCNA2 P20248 1/20 0.38
CDK2 P24941 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
SCHEMBL7684280 0.90 CNR1 (0.43) CNR1CNR2CYP2C9CYP3A4
SCHEMBL7679461 0.86 CNR1 (0.39) CNR1CNR2
SCHEMBL7458185 0.86 MAPT (0.39) CNR1CNR2MAPTL3MBTL1CYP2C9
SCHEMBL7677603 0.85 ALDH1A1 (0.42) MAPTCYP2C9KDM4EALDH1A1
SCHEMBL678914 0.81 P2RX7 (0.38) CNR1CNR2
SCHEMBL7675254 0.81 POLB (0.39) CNR1CNR2CYP2C9CYP3A4
SCHEMBL7675273 0.80 P2RX7 (0.39) CNR1CNR2
SCHEMBL7679296 0.77 CNR1 (0.38) CNR1CNR2CYP2C9CYP3A4
SCHEMBL7677391 0.77 CNR1 (0.38) CNR1CNR2CYP2C9CYP3A4
SCHEMBL7685451 0.77 CNR1 (0.43) CNR1CNR2

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