SCHEMBL20640393

SCHEMBL20640393

CN(C)C1(c2cccc(F)c2)CC2(C[C@@H](CCC3COC3)C(=O)[C@H]2CC2CC2)C1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 19/20 0.54
▸ OPRL1 P41146 17/20 0.54

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
SCHEMBL20640394 1.00 OPRM1 (0.54) OPRM1OPRL1
SCHEMBL20640395 1.00 OPRM1 (0.54) OPRM1OPRL1
SCHEMBL20647590 0.70 OPRM1 (1.00) OPRM1OPRL1
SCHEMBL20640178 0.70 OPRM1 (1.00) OPRM1OPRL1
SCHEMBL23316671 0.68 OPRM1 (0.49) OPRM1OPRL1
SCHEMBL20647537 0.66 OPRM1 (0.65) OPRM1OPRL1
SCHEMBL20864110 0.65 OPRM1 (0.45) OPRM1OPRL1
SCHEMBL20640258 0.63 OPRM1 (0.62) OPRM1OPRL1
SCHEMBL20647517 0.63 OPRM1 (0.62) OPRM1OPRL1
SCHEMBL23316836 0.60 KDM1A (0.46) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3652157-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES Grünenthal GmbH (DE) 2020-05-20 — — EP disclosed
WO-2019012037-A1 1,3-DIAZA-SPIRO-[3.4]-OCTANE DERIVATIVES Grünenthal GmbH (DE) 2019-01-17 — — WO disclosed
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