SCHEMBL5348641

SCHEMBL5348641

Clc1ccc(-c2nc3ncc(-c4ccsc4)cn3c2-c2ccc(Cl)cc2Cl)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 5/20 0.39
DPP8 Q6V1X1 3/20 0.39
DPP9 Q86TI2 3/20 0.39
PDGFRB P09619 2/20 0.39
PDGFRA P16234 2/20 0.39
OPRL1 P41146 1/20 0.37
GAA P10253 2/20 0.36
TP53 P04637 1/20 0.36
THRB P10828 1/20 0.36
AKT1 P31749 1/20 0.36
AKT2 P31751 1/20 0.36
CNR1 P21554 2/20 0.35
RAB9A P51151 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GLA P06280 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
NPC1 O15118 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 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
SCHEMBL5337798 0.88 AKT1 (0.45) PDGFRBPDGFRAGAATP53THRB
SCHEMBL5344323 0.81 CYP3A4 (0.44) DPP4DPP8DPP9GAAAKT1
SCHEMBL5336486 0.80 AKT1 (0.39) DPP4DPP8DPP9OPRL1GAA
SCHEMBL5335624 0.78 KDM4E (0.38) DPP4DPP8DPP9OPRL1TP53
SCHEMBL5320273 0.78 DPP4 (0.52) DPP4DPP8DPP9AKT1AKT2
Hydrochloric Acid SCHEMBL5319501 0.77 KDM4E (0.37) DPP4DPP8DPP9OPRL1TP53
SCHEMBL5347503 0.76 NR4A2 (0.46) DPP4DPP8DPP9AKT1AKT2
SCHEMBL5336981 0.76 MAPT (0.41) DPP4DPP8DPP9GAAAKT1
SCHEMBL5352678 0.76 AKT1 (0.43) DPP4DPP8DPP9GAAAKT1
SCHEMBL5318881 0.76 DPP4 (0.48) DPP4DPP8DPP9AKT1AKT2

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