SCHEMBL19043262

SCHEMBL19043262

NCCCc1ccc(-c2cccc(Cl)c2)cc1

nearest known ligand 0.81

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 7/20 0.81
▸ TAAR1 Q96RJ0 4/20 0.71
▸ HRH1 P35367 1/20 0.45
▸ AKT2 P31751 1/20 0.45
▸ ALOX5 P09917 1/20 0.44
▸ PNMT P11086 1/20 0.44
▸ HCAR2 Q8TDS4 1/20 0.44

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
SCHEMBL2690730 0.83 TAAR1 (1.00) MAOBTAAR1ALOX5PNMT
SCHEMBL27900219 0.83 MAOB (0.65) MAOBTAAR1ALOX5HCAR2
SCHEMBL28636691 0.83 MAOB (0.65) MAOBTAAR1ALOX5HCAR2
Hydrochloric Acid SCHEMBL28279881 0.82 TAAR1 (0.96) MAOBTAAR1ALOX5PNMT
SCHEMBL4591772 0.81 MAOB (0.73) MAOBTAAR1AKT2
SCHEMBL27900185 0.80 MAOB (0.61) MAOBTAAR1ALOX5HCAR2
SCHEMBL2026417 0.80 TAAR1 (0.77) MAOBTAAR1PNMT
SCHEMBL23019492 0.79 TAAR1 (0.51) MAOBTAAR1AKT2HCAR2
SCHEMBL416652 0.79 MAOA (0.64) MAOBTAAR1AKT2
SCHEMBL15245000 0.79 AKT2 (0.62) MAOBTAAR1HRH1AKT2

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-2320886-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITION FOR THE TREATMENT OF COLLAPSING GLOMERULOPATHY AND OTHER GLOMERULAR DISEASE GENZYME CORP (US) 2017-06-28 — — EP disclosed
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