SCHEMBL20221005

SCHEMBL20221005

CN(CC(C)(C)C(N)=O)C(=O)CC1CCC(c2ccccn2)(N(C)C)CC1

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 12/20 0.38
▸ HSD11B1 P28845 5/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ OPRL1 P41146 4/20 0.33
▸ VNN1 O95497 1/20 0.32

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
SCHEMBL2379617 0.79 FFAR4 (0.41) OPRM1HSD11B1SLC6A2SLC6A4OPRL1
SCHEMBL2379024 0.69 OPRM1 (0.52) OPRM1OPRL1
SCHEMBL17443879 0.69 OPRM1 (0.50) OPRM1OPRL1
SCHEMBL17443881 0.69 OPRM1 (0.50) OPRM1OPRL1
Hydrochloric Acid SCHEMBL302953 0.68 OPRM1 (0.52) OPRM1OPRL1
SCHEMBL17443821 0.67 OPRM1 (0.44) OPRM1HSD11B1OPRL1
SCHEMBL17443820 0.67 OPRM1 (0.44) OPRM1HSD11B1OPRL1
SCHEMBL20866632 0.67 OPRM1 (0.49) OPRM1OPRL1
Trifluoroacetic Acid SCHEMBL17444059 0.65 OPRM1 (0.48) OPRM1HSD11B1OPRL1
Trifluoroacetic Acid SCHEMBL20210987 0.65 OPRM1 (0.48) OPRM1HSD11B1OPRL1

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-3169666-B1 SUBSTITUTED AZASPIRO(4.5)DECANE DERIVATIVES GRUENENTHAL GMBH (DE) 2018-06-06 — — EP disclosed
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