SCHEMBL10648643

SCHEMBL10648643

CCCC1CCC(N2CCC(CCC)CC2)CC1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRL1 P41146 6/20 0.53
OPRM1 P35372 5/20 0.53
OPRK1 P41145 2/20 0.49
DPP4 P27487 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
SLC18A3 Q16572 1/20 0.33

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
SCHEMBL10648639 1.00 OPRL1 (0.53) OPRL1OPRM1OPRK1DPP4HRH3
SCHEMBL8278983 0.98 OPRL1 (0.50) OPRL1OPRM1OPRK1DPP4HRH3
SCHEMBL10992737 0.94 OPRL1 (0.49) OPRL1OPRM1OPRK1
SCHEMBL10992752 0.94 OPRL1 (0.49) OPRL1OPRM1OPRK1
SCHEMBL10992742 0.94 OPRL1 (0.49) OPRL1OPRM1OPRK1
SCHEMBL10644807 0.92 OPRL1 (0.48) OPRL1OPRM1OPRK1DPP4SLC18A3
SCHEMBL10645510 0.92 OPRL1 (0.48) OPRL1OPRM1OPRK1DPP4SLC18A3
SCHEMBL10645513 0.92 OPRL1 (0.48) OPRL1OPRM1OPRK1DPP4SLC18A3
SCHEMBL10644813 0.92 OPRL1 (0.48) OPRL1OPRM1OPRK1DPP4SLC18A3
SCHEMBL10647096 0.90 OPRL1 (0.47) OPRL1OPRM1OPRK1DPP4SLC18A3

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-0095626-B1 PIPERIDINE DERIVATIVES MERCK PATENT GmbH (DE) 1988-03-23 EP disclosed
US-4537698-A DIELECTICS FOR ELECTROOPTICAL DISPLAY DEVICES MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1985-08-27 US disclosed
EP-0095626-A2 Piperidine derivatives MERCK PATENT GmbH (DE) 1983-12-07 EP disclosed