SCHEMBL7675255

SCHEMBL7675255

COCc1c(Br)ccc(C)c1NC(=O)c1ccc(C)nc1C(=O)NCC1CC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 5/20 0.40
CNR2 P34972 4/20 0.40
POLB P06746 1/20 0.38
MAPK14 Q16539 5/20 0.34
ACACB O00763 1/20 0.33
ACACA Q13085 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
GABRA1 P14867 3/20 0.33
KIT P10721 1/20 0.33
PTGER4 P35408 1/20 0.33
PTGES O14684 2/20 0.33
GSK3B P49841 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
SCHEMBL7677655 0.89 CNR2 (0.40) CNR1CNR2MAPK14ACACBACACA
SCHEMBL7675254 0.86 POLB (0.39) CNR1CNR2POLBMAPK14ACACB
SCHEMBL7685116 0.86 ALDH1A1 (0.34) POLBMAPK14PTGES
SCHEMBL7676272 0.85 ALDH1A1 (0.35) CYP2C9GABRA1
SCHEMBL7676299 0.84 TSHR (0.34) POLB
SCHEMBL7678830 0.84 PDE4A (0.33) PTGER4
SCHEMBL7683318 0.83 PTGS2 (0.35) POLB
SCHEMBL7679461 0.82 CNR1 (0.39) CNR1CNR2MAPK14ACACBACACA
SCHEMBL7677560 0.80 GRM5 (0.35)
SCHEMBL7679296 0.79 CNR1 (0.38) CNR1CNR2POLBCYP3A4CYP2C9

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