SCHEMBL16404261

SCHEMBL16404261

Cc1nc(C(=O)NC(C)(C)C)c(C)n1-c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 7/20 0.60
CNR2 P34972 7/20 0.60
RIPK1 Q13546 1/20 0.52
GRM5 P41594 9/20 0.49
POLB P06746 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
SLC6A4 P31645 1/20 0.45

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
SCHEMBL16404258 0.82 CNR1 (0.57) CNR1CNR2GRM5HTR2AHTR2C
SCHEMBL2033217 0.81 CNR1 (0.65) CNR1CNR2GRM5
SCHEMBL20647071 0.81 CNR1 (0.54) CNR1CNR2GRM5
SCHEMBL3684239 0.80 CNR1 (0.57) CNR1CNR2GRM5
SCHEMBL16404211 0.79 CNR1 (0.68) CNR1CNR2GRM5HTR2AHTR2C
SCHEMBL23889217 0.79 CNR1 (0.56) CNR1CNR2GRM5
SCHEMBL1078089 0.79 CNR1 (0.56) CNR1CNR2GRM5
SCHEMBL4961512 0.78 CNR1 (0.55) CNR1CNR2GRM5POLB
SCHEMBL16063426 0.77 CNR1 (0.54) CNR1CNR2GRM5
SCHEMBL16404248 0.77 CNR1 (0.60) CNR1CNR2GRM5POLBHTR2A

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