SCHEMBL5324489

SCHEMBL5324489

O=C(NCCO)c1cccc(-c2cnc3nc(-c4ccc(Cl)cc4)c(-c4ccc(Cl)cc4Cl)n3c2)c1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FYN P06241 9/20 0.45
CNR1 P21554 6/20 0.43
GCGR P47871 1/20 0.41
DPP4 P27487 3/20 0.40
DPP8 Q6V1X1 3/20 0.40
DPP9 Q86TI2 3/20 0.40
ALPL P05186 1/20 0.39
ALPG P10696 1/20 0.39

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
SCHEMBL5347503 0.85 NR4A2 (0.46) FYNCNR1DPP4DPP8DPP9
SCHEMBL5336486 0.80 AKT1 (0.39) CNR1DPP4DPP8DPP9
SCHEMBL5336981 0.76 MAPT (0.41) CNR1DPP4DPP8DPP9
SCHEMBL5341370 0.76 MAP4K4 (0.52)
SCHEMBL5320273 0.76 DPP4 (0.52) DPP4DPP8DPP9
SCHEMBL5344323 0.75 CYP3A4 (0.44) CNR1DPP4DPP8DPP9
SCHEMBL5345483 0.75 NR4A2 (0.51) FYN
SCHEMBL5352678 0.75 AKT1 (0.43) CNR1DPP4DPP8DPP9
SCHEMBL5343498 0.73 FYN (0.46) FYN
SCHEMBL5325683 0.72 AKT1 (0.51)

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
WO-2007096764-A2 BICYCLIC HETEROARYL DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS S.A. (US) 2007-08-30 WO claimed
WO-2007096764-A2 BICYCLIC HETEROARYL DERIVATIVES AS CANNABINOID RECEPTOR MODULATORS GLENMARK PHARMACEUTICALS S.A. (US) 2007-08-30 WO disclosed