SCHEMBL5335624

SCHEMBL5335624

Fc1ccc(-c2cnc3nc(-c4ccc(Br)cc4)c(-c4ccc(Cl)cc4Cl)n3c2)cc1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
AKT1 P31749 1/20 0.37
AKT2 P31751 1/20 0.37
DPP4 P27487 4/20 0.37
DPP8 Q6V1X1 2/20 0.37
DPP9 Q86TI2 2/20 0.37
GRM5 P41594 4/20 0.37
CNR1 P21554 6/20 0.35
CNR2 P34972 3/20 0.35
OPRL1 P41146 1/20 0.34
GCGR P47871 1/20 0.34
MAPK14 Q16539 1/20 0.34

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
Hydrochloric Acid SCHEMBL5319501 0.99 KDM4E (0.37) KDM4ENPC1TP53RAB9ASMN1; SMN2
SCHEMBL5318881 0.87 DPP4 (0.48) KDM4ENPC1RAB9ASMN1; SMN2AKT1
Hydrochloric Acid SCHEMBL5344135 0.86 DPP4 (0.47) KDM4ENPC1RAB9ASMN1; SMN2AKT1
SCHEMBL5337653 0.82 DPP4 (0.49) KDM4ENPC1RAB9ASMN1; SMN2AKT1
SCHEMBL5321323 0.81 AKT1 (0.50) KDM4ENPC1RAB9ASMN1; SMN2AKT1
SCHEMBL5341559 0.79 DPP4 (0.45) NPC1TP53RAB9ASMN1; SMN2AKT1
SCHEMBL5344323 0.78 CYP3A4 (0.44) KDM4ERAB9ASMN1; SMN2AKT1AKT2
SCHEMBL5348641 0.78 DPP4 (0.39) KDM4ENPC1TP53RAB9ASMN1; SMN2
SCHEMBL5336486 0.77 AKT1 (0.39) KDM4ERAB9ASMN1; SMN2AKT1AKT2
SCHEMBL5320273 0.75 DPP4 (0.52) NPC1RAB9ASMN1; SMN2AKT1AKT2

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