SCHEMBL23316802

SCHEMBL23316802

CN(CC1(O)CCC1)CC1(N(C=O)CC2CC2)CC(c2cccc(F)c2)(N(C)C)C1

nearest known ligand 0.50

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 18/20 0.50
▸ OPRL1 P41146 17/20 0.50
▸ SLC6A2 P23975 1/20 0.36
▸ SLC6A4 P31645 1/20 0.36
▸ SLC6A3 Q01959 1/20 0.36

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
SCHEMBL23316670 0.89 OPRL1 (0.46) OPRM1OPRL1
SCHEMBL23316817 0.84 OPRM1 (0.49) OPRM1OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL23316654 0.84 OPRM1 (0.50) OPRM1OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL20653804 0.81 OPRM1 (0.49) OPRM1OPRL1
SCHEMBL23316671 0.81 OPRM1 (0.49) OPRM1OPRL1SLC6A2SLC6A4SLC6A3
SCHEMBL19152590 0.72 OPRM1 (0.53) OPRM1OPRL1
SCHEMBL23316769 0.72 OPRL1 (0.53) OPRM1OPRL1
SCHEMBL23316766 0.72 OPRL1 (0.42) OPRM1OPRL1
SCHEMBL20640221 0.67 OPRM1 (1.00) OPRM1OPRL1
SCHEMBL20647580 0.67 OPRM1 (1.00) 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-3652157-B1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES GRUENENTHAL GMBH (DE) 2021-05-05 — — EP disclosed
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