SCHEMBL4752836

SCHEMBL4752836

CCN(CC)[C@@H](CO)CN1C[C@H](C(=O)c2cccc(O)c2)[C@@H](c2cccc(F)c2C)[C@H](C(=O)c2cccc(O)c2)C1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.32
OPRD1 P41143 2/20 0.32
OPRK1 P41145 1/20 0.32
KDM2B Q8NHM5 2/20 0.31
MGLL Q99685 1/20 0.30

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
SCHEMBL4752838 1.00 OPRM1 (0.32) OPRM1OPRD1OPRK1KDM2BMGLL
SCHEMBL4020419 0.91 KDM2B (0.32) OPRM1OPRD1OPRK1KDM2BMGLL
SCHEMBL4018647 0.86 KDM2B (0.33) KDM2BMGLL
SCHEMBL4020603 0.85 KDM2B (0.33) OPRM1OPRK1KDM2BMGLL
SCHEMBL13721304 0.84 KDM2B (0.34) KDM2BMGLL
SCHEMBL4023878 0.84 KDM2B (0.34) KDM2BMGLL
SCHEMBL4022530 0.84 KDM2B (0.34) KDM2BMGLL
SCHEMBL4025503 0.84 KIF11 (0.34) OPRM1OPRD1OPRK1KDM2BMGLL
SCHEMBL4749198 0.83 MEN1 (0.33) KDM2BMGLL
SCHEMBL4749185 0.82 KDM2B (0.31) OPRM1OPRD1OPRK1KDM2BMGLL

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
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO claimed
WO-2008140810-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS, AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-11-20 WO disclosed