SCHEMBL21766367

SCHEMBL21766367

CSc1cccc(NC(=O)CN(C)CC2(N(C=O)CC3CCC3)CCC(c3ccccc3)(N(C)C)CC2)n1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 20/20 0.57
▸ OPRL1 P41146 19/20 0.57

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
SCHEMBL21766728 0.76 OPRL1 (0.52) OPRM1OPRL1
SCHEMBL19153829 0.75 OPRM1 (0.50) OPRM1OPRL1
SCHEMBL22540261 0.74 OPRM1 (0.46) OPRM1OPRL1
SCHEMBL19151548 0.74 OPRM1 (0.73) OPRM1OPRL1
SCHEMBL19093814 0.73 OPRM1 (1.00) OPRM1OPRL1
SCHEMBL19116854 0.73 OPRM1 (1.00) OPRM1OPRL1
SCHEMBL19093812 0.73 OPRM1 (1.00) OPRM1OPRL1
SCHEMBL19153406 0.72 OPRM1 (0.53) OPRM1OPRL1
SCHEMBL19153839 0.70 OPRM1 (0.49) OPRM1OPRL1
SCHEMBL23316766 0.70 OPRL1 (0.42) OPRM1OPRL1

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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