SCHEMBL21766651

SCHEMBL21766651

CNCC1(N(C=O)CC2CC2)CCC(c2ccccc2)(N(C)C)CC1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 20/20 0.49
▸ OPRM1 P35372 19/20 0.49
▸ OPRK1 P41145 3/20 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
SCHEMBL19153406 0.95 OPRM1 (0.53) OPRL1OPRM1OPRK1
SCHEMBL19154112 0.82 OPRM1 (0.46) OPRL1OPRM1OPRK1
SCHEMBL19151119 0.81 OPRM1 (0.58) OPRL1OPRM1OPRK1
SCHEMBL21766728 0.79 OPRL1 (0.52) OPRL1OPRM1OPRK1
SCHEMBL22540296 0.77 OPRL1 (0.52) OPRL1OPRM1OPRK1
SCHEMBL19153829 0.75 OPRM1 (0.50) OPRL1OPRM1
SCHEMBL22540261 0.73 OPRM1 (0.46) OPRL1OPRM1
SCHEMBL19153839 0.73 OPRM1 (0.49) OPRL1OPRM1
SCHEMBL19145225 0.72 OPRM1 (0.53) OPRL1OPRM1
SCHEMBL23316670 0.72 OPRL1 (0.46) OPRL1OPRM1OPRK1

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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