SCHEMBL3804151

SCHEMBL3804151

CCCNC(=O)c1cc(-c2ccccc2)sc1NC(=O)C12CC3CC1C[C@@H](C3)C2

nearest known ligand 0.57

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 7/20 0.57
CNR2 P34972 4/20 0.56
CNR1 P21554 2/20 0.55
CHEK1 O14757 8/20 0.51

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
SCHEMBL4080887 1.00 ALOX15 (0.57) ALOX15CNR2CNR1CHEK1
SCHEMBL4090731 0.91 CNR2 (0.53) ALOX15CNR2CNR1CHEK1
SCHEMBL3810752 0.91 CNR2 (0.53) ALOX15CNR2CNR1CHEK1
SCHEMBL4091079 0.90 CHEK1 (0.54) ALOX15CNR2CNR1CHEK1
SCHEMBL4092591 0.86 CNR2 (0.60) ALOX15CNR2CNR1
SCHEMBL3804561 0.86 CNR2 (0.60) ALOX15CNR2CNR1
SCHEMBL3749679 0.85 CNR2 (0.62) CNR2CHEK1
SCHEMBL4095727 0.84 CNR2 (0.64) ALOX15CNR2
SCHEMBL3800992 0.84 CNR2 (0.64) ALOX15CNR2
SCHEMBL4095472 0.83 CNR2 (0.59) CNR2CNR1

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