SCHEMBL21766362

SCHEMBL21766362

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

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ OPRL1 P41146 19/20 0.56
▸ OPRM1 P35372 19/20 0.56
▸ OPRK1 P41145 1/20 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
SCHEMBL20866632 0.83 OPRM1 (0.49) OPRL1OPRM1
SCHEMBL21766711 0.81 OPRM1 (0.42) OPRL1OPRM1
SCHEMBL21766347 0.81 OPRM1 (0.48) OPRL1OPRM1
SCHEMBL19151440 0.78 OPRL1 (0.46) OPRL1OPRM1
SCHEMBL2780290 0.78 OPRL1 (0.59) OPRL1OPRM1OPRK1
Hydrochloric Acid SCHEMBL2378571 0.77 OPRL1 (0.58) OPRL1OPRM1OPRK1
SCHEMBL26343235 0.75 OPRL1 (0.45) OPRL1OPRM1OPRK1
SCHEMBL19145436 0.75 OPRL1 (0.54) OPRL1OPRM1OPRK1
SCHEMBL4051249 0.74 OPRL1 (0.63) OPRL1OPRM1OPRK1
SCHEMBL22538487 0.74 OPRL1 (0.43) 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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