SCHEMBL25943080

SCHEMBL25943080

NCCCCc1ccc(-c2ccc(CCCO)cc2)cc1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 1/20 0.54
▸ CA2 P00918 3/20 0.48
▸ HRH1 P35367 2/20 0.48
▸ AKT2 P31751 1/20 0.47
▸ MAOB P27338 3/20 0.44
▸ HTR2A P28223 2/20 0.44
▸ CYP4A11 Q02928 2/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.41
▸ LTA4H P09960 1/20 0.41
▸ EPHX2 P34913 1/20 0.41
▸ CYP4F2 P78329 1/20 0.41
▸ RARB P10826 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
SCHEMBL11136805 0.91 MAOA (0.58) MAOACA2HRH1HTR2ACYP4A11
SCHEMBL11132219 0.91 MAOA (0.58) MAOACA2HRH1HTR2ACYP4A11
SCHEMBL3535251 0.87 CA2 (0.54) CA2CYP4A11HRH3LTA4HEPHX2
SCHEMBL2361398 0.85 MAOA (0.60) MAOACA2HRH1HTR2A
SCHEMBL1049854 0.82 HTR2A (0.60) CA2HTR2ACYP4A11
SCHEMBL15870453 0.82 CA2 (0.57) CA2CYP4A11CYP4F2RARB
SCHEMBL15245000 0.82 AKT2 (0.62) MAOAHRH1AKT2MAOBHTR2A
SCHEMBL3680378 0.82 MAOA (0.75) MAOAHRH1MAOBHTR2A
SCHEMBL8911924 0.81 MAOA (0.75) MAOAHRH1AKT2MAOBHTR2A
SCHEMBL7140170 0.81 GFER (0.54) MAOACA2MAOBCYP4A11LTA4H

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
WO-2023146892-A1 BIPHENYL-SUBSTITUTED EPITHELIAL SODIUM CHANNEL BLOCKING COMPOUNDS PARION SCIENCES, INC. (US) 2023-08-03 — — WO disclosed
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