SCHEMBL29664779

SCHEMBL29664779

CCOC(=O)C1(c2cccnc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 9/20 0.56
OPRD1 P41143 6/20 0.55
OPRK1 P41145 6/20 0.55
SLC22A1 O15245 1/20 0.55
SLC6A4 P31645 1/20 0.55
ADRA1A P35348 1/20 0.55
KCNH2 Q12809 1/20 0.55
KCNA3 P22001 1/20 0.46

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
SCHEMBL2005769 1.00 OPRM1 (0.56) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL29430547 0.94 OPRM1 (0.53) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL2011106 0.94 OPRM1 (0.53) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL25062469 0.94 OPRM1 (0.53) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL10246623 0.91 OPRM1 (0.71) OPRM1OPRD1OPRK1SLC22A1SLC6A4
Hydrochloric Acid SCHEMBL699986 0.90 OPRM1 (0.70) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL22629806 0.89 OPRM1 (0.47) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL13658282 0.88 OPRM1 (0.56) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL25438272 0.87 OPRM1 (0.40) OPRM1OPRD1OPRK1SLC22A1SLC6A4
SCHEMBL22629811 0.86 OPRM1 (0.45) OPRM1OPRD1OPRK1SLC22A1SLC6A4

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
CN-114729044-A Muscarinic acetylcholine M1Receptor antagonists 帕珀莱恩医疗公司 2022-07-08 CN disclosed