SCHEMBL10516151

SCHEMBL10516151

Nc1cccc(Cc2ccc[nH]2)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 3/20 0.46
▸ MAOA P21397 2/20 0.46
▸ CYP19A1 P11511 1/20 0.44
▸ CA1 P00915 1/20 0.41
▸ CA2 P00918 1/20 0.41
▸ CA9 Q16790 1/20 0.41
▸ CYP3A4 P08684 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ RECQL P46063 1/20 0.39
▸ PARP1 P09874 1/20 0.38
▸ MAPT P10636 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ HTT P42858 1/20 0.37
▸ RAB9A P51151 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ CYP11B1 P15538 1/20 0.36
▸ CYP11B2 P19099 1/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35

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
SCHEMBL27533766 0.79 CYP3A4 (0.52) MAOBMAOACYP19A1CYP3A4MAPT
SCHEMBL20117722 0.78 DAO (0.53) —
SCHEMBL28173296 0.78 DAO (0.53) —
SCHEMBL49433 0.77 MAOB (0.62) MAOBMAOACYP19A1CA1CA2
SCHEMBL30583096 0.77 MAOB (0.62) MAOBMAOACYP19A1CA1CA2
SCHEMBL1108477 0.76 TAAR1 (0.50) MAOASMN1; SMN2HRH3
SCHEMBL9719335 0.75 MAOB (0.60) MAOBMAOACYP19A1CA1CA2
Hydrochloric Acid SCHEMBL8644377 0.75 MAOB (0.64) MAOBMAOACYP19A1CA1CA2
Hydrochloric Acid SCHEMBL10936113 0.75 MAOB (0.64) MAOBMAOACYP19A1CA1CA2
SCHEMBL28814222 0.75 IDH1 (0.46) MAOBMAOAPARP1HRH3

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0329169-A1 N-(lower alkyl)-2-(3'-ureidobenzyl)-pyrrolidines SYNTEX (U.S.A.) INC. (US) 1989-08-23 — — EP disclosed
US-4826869-A GLAUCOMA SYNTEX (U.S.A.) INC. (US) 1989-05-02 — — US disclosed
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