SCHEMBL1666803

SCHEMBL1666803

CCC[C@H](C)CN(C(=O)[C@@H]1C[C@H]1c1cccc(F)n1)c1ccc(-c2ccc(COC)cc2)cc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
GPR88 Q9GZN0 20/20 0.74
SLC6A4 P31645 2/20 0.57
OPRK1 P41145 2/20 0.57

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
SCHEMBL6889727 0.91 GPR88 (0.76) GPR88SLC6A4OPRK1
SCHEMBL1666808 0.87 GPR88 (0.73) GPR88
SCHEMBL1666648 0.87 GPR88 (0.91) GPR88SLC6A4OPRK1
SCHEMBL14877724 0.87 GPR88 (0.91) GPR88SLC6A4OPRK1
SCHEMBL15145945 0.82 GPR88 (0.72) GPR88
SCHEMBL2521901 0.81 GPR88 (0.69) GPR88SLC6A4OPRK1
SCHEMBL2521906 0.81 GPR88 (0.69) GPR88SLC6A4OPRK1
SCHEMBL14877718 0.80 GPR88 (0.91) GPR88SLC6A4OPRK1
SCHEMBL1666650 0.80 GPR88 (0.91) GPR88SLC6A4OPRK1
SCHEMBL1670661 0.80 GPR88 (0.91) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011044212-A1 MODULATORS OF G PROTEIN-COUPLED RECEPTOR 88 BRISTOL-MYERS SQUIBB COMPANY (US) 2011-04-14 WO disclosed