SCHEMBL28291236

SCHEMBL28291236

CN(CC(=O)O)[C@@H](CC#N)Cc1ccc(O)cc1

nearest known ligand 0.72

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 14/20 0.72
▸ ESR1 P03372 1/20 0.47
▸ ESR2 Q92731 1/20 0.47
▸ OPRM1 P35372 4/20 0.42
▸ OPRK1 P41145 3/20 0.42
▸ MAOA P21397 1/20 0.41
▸ OPRD1 P41143 2/20 0.41
▸ CTSL P07711 1/20 0.41

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
SCHEMBL17923788 1.00 MAOB (0.72) MAOBESR1ESR2OPRM1OPRK1
SCHEMBL17923791 1.00 MAOB (0.72) MAOBESR1ESR2OPRM1OPRK1
SCHEMBL17931596 0.89 MAOB (0.68) MAOBMAOA
SCHEMBL16552387 0.84 MAOB (1.00) MAOBMAOA
SCHEMBL17923834 0.84 MAOB (1.00) MAOBMAOA
SCHEMBL17931624 0.82 MAOB (0.55) MAOBESR1ESR2OPRM1OPRK1
SCHEMBL17935551 0.81 MAOB (0.76) MAOBMAOA
SCHEMBL17931629 0.80 MAOB (0.49) MAOBOPRM1OPRK1OPRD1
SCHEMBL16552344 0.79 MAOB (1.00) MAOBMAOA
SCHEMBL17923867 0.79 MAOB (1.00) MAOBMAOA

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-109574865-A Monoamine oxidase-B selective depression immunomodulator compounds, its pharmaceutical composition and application 英属哥伦比亚大学 2019-04-05 — — CN disclosed
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