SCHEMBL3810752

SCHEMBL3810752

CCCNC(=O)c1cc(-c2ccncc2)sc1NC(=O)C12CC3CC1C[C@@H](C3)C2

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 10/20 0.53
CNR1 P21554 3/20 0.53
ALOX15 P16050 4/20 0.46
CHEK1 O14757 5/20 0.44
CDK2AP1 O14519 1/20 0.44
ADORA1 P30542 1/20 0.36

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
SCHEMBL4090731 1.00 CNR2 (0.53) CNR2CNR1ALOX15CHEK1CDK2AP1
SCHEMBL4080887 0.91 ALOX15 (0.57) CNR2CNR1ALOX15CHEK1
SCHEMBL3804151 0.91 ALOX15 (0.57) CNR2CNR1ALOX15CHEK1
SCHEMBL4092591 0.85 CNR2 (0.60) CNR2CNR1ALOX15ADORA1
SCHEMBL3804561 0.85 CNR2 (0.60) CNR2CNR1ALOX15ADORA1
SCHEMBL3746177 0.85 CNR2 (0.51) CNR2CNR1CHEK1CDK2AP1ADORA1
SCHEMBL3737197 0.84 CNR2 (0.52) CNR2
SCHEMBL4095472 0.82 CNR2 (0.59) CNR2CNR1ADORA1
SCHEMBL3808774 0.82 CNR2 (0.59) CNR2CNR1ADORA1
SCHEMBL4091079 0.81 CHEK1 (0.54) CNR2CNR1ALOX15CHEK1CDK2AP1

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
EP-2176219-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-04-21 EP disclosed
WO-2009009550-A1 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2009-01-15 WO disclosed