SCHEMBL5347682

SCHEMBL5347682

Fc1ccc(-c2nc3ncc(-c4cc(Cl)cc(Cl)c4)cn3c2Br)cc1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 11/20 0.39
KDM4E B2RXH2 3/20 0.36
RAB9A P51151 3/20 0.36
ALDH1A1 P00352 2/20 0.36
NPC1 O15118 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
LMNA P02545 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
GLA P06280 1/20 0.34
GAA P10253 1/20 0.34
SRC P12931 1/20 0.34
BRAF P15056 1/20 0.34
KDR P35968 1/20 0.34
AKT1 P31749 1/20 0.33
AKT2 P31751 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
SCHEMBL5320666 0.78 MAPK14 (0.43) GRM5AKT1AKT2
SCHEMBL5342580 0.78 TDP1 (0.47) KDM4EALDH1A1SMN1; SMN2GAA
SCHEMBL5340690 0.75 MAOB (0.40) KDM4ERAB9AALDH1A1NPC1SMN1; SMN2
SCHEMBL5320129 0.73 AKT1 (0.46) GRM5KDM4ERAB9AALDH1A1NPC1
SCHEMBL5335624 0.73 KDM4E (0.38) GRM5KDM4ERAB9ANPC1SMN1; SMN2
Hydrochloric Acid SCHEMBL5319501 0.72 KDM4E (0.37) GRM5KDM4ERAB9ANPC1SMN1; SMN2
SCHEMBL5354165 0.69 AKT1 (0.44) GRM5AKT1AKT2
SCHEMBL5341386 0.69 AKT1 (0.49) GRM5KDM4ERAB9AALDH1A1SMN1; SMN2
SCHEMBL5321323 0.68 AKT1 (0.50) GRM5KDM4ERAB9AALDH1A1NPC1
SCHEMBL5324372 0.67 AKT1 (0.55) GRM5KDM4ERAB9AALDH1A1NPC1

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