SCHEMBL16404199

SCHEMBL16404199

O=C(NC12CC3CC(CC(C3)C1)C2)c1cn(-c2ccccc2)cn1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.57
FAAH O00519 2/20 0.55
CNR1 P21554 4/20 0.52
PABPC1 P11940 1/20 0.49
USP30 Q70CQ3 2/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
MAPT P10636 1/20 0.48
HPGD P15428 1/20 0.48
TSHR P16473 1/20 0.48
ALOX12 P18054 1/20 0.48
HTT P42858 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HSD17B10 Q99714 1/20 0.48
PTGS1 P23219 1/20 0.47
EPHX2 P34913 1/20 0.47
PTGS2 P35354 1/20 0.47

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
SCHEMBL16404214 0.78 USP30 (0.54) CNR2FAAHCNR1USP30HPGD
SCHEMBL16404201 0.76 CNR2 (0.65) CNR2FAAHCNR1KDM4EALDH1A1
SCHEMBL4961519 0.76 CNR2 (0.74) CNR2FAAHCNR1KDM4EALDH1A1
SCHEMBL2638308 0.74 PABPC1 (0.65) CNR2FAAHPABPC1KDM4EALDH1A1
SCHEMBL19017752 0.74 USP30 (0.51) USP30KDM4EALDH1A1MAPTHPGD
SCHEMBL4963283 0.73 CNR2 (0.62) CNR2FAAHCNR1KDM4EALDH1A1
SCHEMBL16404231 0.73 CNR2 (0.65) CNR2FAAHCNR1KDM4EALDH1A1
SCHEMBL16404203 0.73 CNR2 (0.70) CNR2FAAHCNR1KDM4EALDH1A1
SCHEMBL16404242 0.73 CNR2 (1.00) CNR2FAAHCNR1PABPC1
SCHEMBL30634268 0.72 FAAH (0.61) CNR2FAAHCNR1PABPC1KDM4E

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