SCHEMBL8717119

SCHEMBL8717119

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

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 8/20 0.47
OPRM1 P35372 1/20 0.47
OPRD1 P41143 1/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
TSHR P16473 1/20 0.45
CYP2C19 P33261 1/20 0.45

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
SCHEMBL8717657 0.89 OPRK1 (0.47) OPRK1OPRM1OPRD1CYP3A4CYP2D6
SCHEMBL8717441 0.86 OPRK1 (0.61) OPRK1OPRM1OPRD1CYP3A4CYP2D6
SCHEMBL8717406 0.84 OPRK1 (0.50) OPRK1OPRM1OPRD1CYP3A4CYP2D6
SCHEMBL8722029 0.82 OPRK1 (0.58) OPRK1OPRM1OPRD1CYP3A4CYP2D6
SCHEMBL8716986 0.81 OPRK1 (0.49) OPRK1OPRM1OPRD1CYP3A4CYP2D6
SCHEMBL5629611 0.79 OPRK1 (0.70) OPRK1OPRM1OPRD1CYP3A4CYP2D6
SCHEMBL17776378 0.79 OPRK1 (0.70) OPRK1OPRM1OPRD1CYP3A4CYP2D6
SCHEMBL8717586 0.78 OPRK1 (0.63) OPRK1OPRM1OPRD1CYP3A4CYP2D6
SCHEMBL8716519 0.78 OPRK1 (0.43) OPRK1OPRM1OPRD1

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