SCHEMBL1670661

SCHEMBL1670661

COCc1ccc(-c2ccc(N(CC3(N)CCCC3)C(=O)C3CC3c3cccc(F)n3)cc2)cc1

nearest known ligand 0.91

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 20/20 0.91
SLC6A4 P31645 2/20 0.51
OPRK1 P41145 2/20 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
SCHEMBL1666650 1.00 GPR88 (0.91) GPR88SLC6A4OPRK1
SCHEMBL14877718 1.00 GPR88 (0.91) GPR88SLC6A4OPRK1
SCHEMBL12212381 0.92 GPR88 (0.77) GPR88SLC6A4OPRK1
SCHEMBL1666760 0.90 GPR88 (0.91) GPR88
SCHEMBL6888089 0.90 GPR88 (0.91) GPR88
SCHEMBL1667090 0.86 GPR88 (0.91) GPR88
SCHEMBL6888518 0.86 GPR88 (0.91) GPR88
SCHEMBL1666813 0.84 GPR88 (0.70) GPR88SLC6A4OPRK1
SCHEMBL1666815 0.84 GPR88 (0.70) GPR88SLC6A4OPRK1
SCHEMBL15145951 0.82 GPR88 (0.64) GPR88SLC6A4OPRK1

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-2486014-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 Bristol-Myers Squibb Company (US) 2012-08-15 EP disclosed
WO-2011044212-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 WO disclosed