SCHEMBL8720266

SCHEMBL8720266

CN(C(=O)C(c1ccccc1)c1ccccc1)[C@H](CN1CC[C@H](O)C1)c1ccc(O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 3/20 0.89
OPRM1 P35372 1/20 0.89
OPRD1 P41143 1/20 0.89
CYP2D6 P10635 2/20 0.63

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
Asimadoline SCHEMBL13639176 0.94 OPRK1 (1.00) OPRK1OPRM1OPRD1CYP2D6
Asimadoline SCHEMBL2473545 0.94 OPRK1 (1.00) OPRK1OPRM1OPRD1CYP2D6
Asimadoline SCHEMBL7721982 0.94 OPRK1 (1.00) OPRK1OPRM1OPRD1CYP2D6
Asimadoline SCHEMBL6923822 0.94 OPRK1 (1.00) OPRK1OPRM1OPRD1CYP2D6
Asimadoline SCHEMBL155020 0.94 OPRK1 (1.00) OPRK1OPRM1OPRD1CYP2D6
Asimadoline SCHEMBL8717354 0.94 OPRK1 (1.00) OPRK1OPRM1OPRD1CYP2D6
Asimadoline SCHEMBL1179586 0.93 OPRK1 (0.98) OPRK1OPRM1OPRD1CYP2D6
Asimadoline SCHEMBL8011656 0.93 OPRK1 (0.98) OPRK1OPRM1OPRD1CYP2D6
Asimadoline SCHEMBL26923202 0.93 OPRK1 (0.98) OPRK1OPRM1OPRD1CYP2D6
SCHEMBL9015325 0.92 OPRK1 (0.89) OPRK1OPRM1OPRD1CYP2D6

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