SCHEMBL8717657

SCHEMBL8717657

CN(C(=O)C(c1ccc(Cl)cc1)c1ccc(Cl)cc1)[C@H](CN1CCCC1)c1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 7/20 0.47
OPRM1 P35372 3/20 0.47
OPRD1 P41143 3/20 0.47
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
TSHR P16473 2/20 0.45
CYP2C19 P33261 2/20 0.45
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
MAPK1 P28482 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
UTS2R Q9UKP6 1/20 0.44

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
SCHEMBL8716972 0.91 OPRK1 (0.56) OPRK1OPRM1OPRD1CYP3A4CYP2D6
SCHEMBL8717119 0.89 OPRK1 (0.47) OPRK1OPRM1OPRD1CYP3A4CYP2D6
SCHEMBL8722006 0.86 OPRK1 (0.61) OPRK1OPRM1OPRD1CYP3A4CYP2D6
SCHEMBL8719812 0.86 OPRK1 (0.61) OPRK1OPRM1OPRD1CYP3A4CYP2D6
SCHEMBL8717038 0.86 OPRK1 (0.54) OPRK1OPRM1OPRD1CYP3A4CYP2D6
SCHEMBL8719826 0.84 OPRK1 (0.50) OPRK1OPRM1OPRD1CYP3A4CYP2D6
SCHEMBL8719832 0.82 OPRK1 (0.56) OPRK1OPRM1OPRD1CYP3A4CYP2D6
SCHEMBL8716986 0.81 OPRK1 (0.49) OPRK1OPRM1OPRD1CYP3A4CYP2D6
SCHEMBL21469025 0.79 OPRD1 (0.62) OPRK1OPRM1OPRD1CYP3A4CYP2D6
SCHEMBL16379667 0.79 OPRD1 (0.62) OPRK1OPRM1OPRD1CYP3A4CYP2D6

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0569802-B1 Arylacetamides MERCK PATENT GMBH (DE) 1998-07-15 EP disclosed
US-5532266-A Acrylacetamides MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1996-07-02 US disclosed
EP-0569802-A1 Arylacetamides MERCK PATENT GmbH (DE) 1993-11-18 EP disclosed