SCHEMBL16404252

SCHEMBL16404252

Cc1nc(C(=O)Nc2ccc(C#N)c3ccccc23)c(C)n1-c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 8/20 0.57
CNR2 P34972 8/20 0.57
GRM5 P41594 11/20 0.50

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
SCHEMBL16404206 0.83 CNR1 (0.60) CNR1CNR2GRM5
SCHEMBL16404204 0.82 CNR1 (0.67) CNR1CNR2GRM5
SCHEMBL16404257 0.76 CNR1 (0.60) CNR1CNR2GRM5
SCHEMBL2033217 0.76 CNR1 (0.65) CNR1CNR2GRM5
SCHEMBL5999099 0.73 CNR1 (0.65) CNR1CNR2GRM5
SCHEMBL16404261 0.70 CNR1 (0.60) CNR1CNR2GRM5
SCHEMBL16404246 0.70 CNR1 (0.61) CNR1CNR2
SCHEMBL3684239 0.70 CNR1 (0.57) CNR1CNR2GRM5
SCHEMBL30387595 0.69 WNT3A (0.61) CNR1CNR2GRM5
SCHEMBL20604171 0.69 WNT3A (0.61) CNR1CNR2GRM5

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