SCHEMBL16404207

SCHEMBL16404207

Cc1nc(C(=O)NC(C)c2ccc(F)cc2)c(C)n1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 8/20 0.57
NPC1 O15118 1/20 0.52
CNR1 P21554 7/20 0.52
CNR2 P34972 7/20 0.52
MAOA P21397 1/20 0.52
GAA P10253 1/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL16404248 0.92 CNR1 (0.60) GRM5CNR1CNR2ALDH1A1
SCHEMBL31385131 0.75 MAOA (0.61) NPC1MAOAGAAKDM4EALDH1A1
SCHEMBL28800170 0.74 PTGER4 (0.52) NPC1ALDH1A1
SCHEMBL28800173 0.74 PTGER4 (0.52) NPC1ALDH1A1
SCHEMBL2033217 0.73 CNR1 (0.65) GRM5CNR1CNR2ALDH1A1
SCHEMBL5644953 0.72 NPC1 (0.88) NPC1GAAKDM4EALDH1A1
SCHEMBL16404261 0.72 CNR1 (0.60) GRM5CNR1CNR2
SCHEMBL3684239 0.72 CNR1 (0.57) GRM5CNR1CNR2ALDH1A1
SCHEMBL16404211 0.71 CNR1 (0.68) GRM5CNR1CNR2
SCHEMBL23889217 0.71 CNR1 (0.56) GRM5NPC1CNR1CNR2ALDH1A1

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
US-8937184-B2 1H-imidazole derivatives as cannabinoid CB2 receptor modulators ABBVIE B.V. (NL) 2015-01-20 US disclosed
US-8937184-B2 1H-imidazole derivatives as cannabinoid CB2 receptor modulators ABBVIE B.V. (NL) 2015-01-20 US disclosed