SCHEMBL21766365

SCHEMBL21766365

CN(C)C1(c2ccccc2)CCC(CN(CC=O)C(=O)NCC2CC2)CC1

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 18/20 0.46
▸ OPRM1 P35372 18/20 0.46
▸ PTGES O14684 1/20 0.40

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
SCHEMBL19151440 0.86 OPRL1 (0.46) OPRL1OPRM1
SCHEMBL21766347 0.84 OPRM1 (0.48) OPRL1OPRM1
SCHEMBL25680098 0.82 OPRL1 (0.44) OPRL1OPRM1PTGES
SCHEMBL21766368 0.81 OPRL1 (0.54) OPRL1OPRM1
SCHEMBL4702248 0.80 OPRL1 (0.55) OPRL1OPRM1
SCHEMBL22560734 0.80 OPRL1 (0.50) OPRL1OPRM1
SCHEMBL19145436 0.78 OPRL1 (0.54) OPRL1OPRM1
SCHEMBL21766632 0.77 OPRL1 (0.56) OPRL1OPRM1
SCHEMBL25678122 0.76 OPRL1 (0.60) OPRL1OPRM1
SCHEMBL2780075 0.74 ALDH1A1 (0.53) OPRL1OPRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3402785-B1 3-(CARBOXYMETHYL)-8-AMINO-2-OXO-1,3-DIAZA-SPIRO-[4.5]-DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2020-02-26 — — EP disclosed
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