SCHEMBL9626517

SCHEMBL9626517

CC(CCC(OCc1cccc(Cl)c1)c1ccccc1)N(C)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 1/20 0.42
▸ IDO1 P14902 1/20 0.42
▸ TDO2 P48775 1/20 0.42
▸ MAOB P27338 1/20 0.41
▸ BCHE P06276 4/20 0.39
▸ ACHE P22303 4/20 0.39
▸ CTSL P07711 1/20 0.38
▸ SLC1A5 Q15758 1/20 0.38
▸ PKM P14618 1/20 0.37
▸ ALOX5 P09917 1/20 0.37
▸ TACR1 P25103 3/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ RIPK1 Q13546 1/20 0.36
▸ CCR5 P51681 1/20 0.36
▸ CNR2 P34972 1/20 0.36

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
SCHEMBL9628202 0.76 MAOB (0.54) FFAR1MAOBPKMALOX5
SCHEMBL9628072 0.75 MAOB (0.66) MAOBPKMALOX5
SCHEMBL20622322 0.74 SLC6A9 (0.37) —
SCHEMBL21747667 0.74 RIPK1 (0.40) FFAR1MAOBRIPK1
SCHEMBL19564591 0.74 RIPK1 (0.40) FFAR1MAOBRIPK1
SCHEMBL30439007 0.74 OPRK1 (0.38) TACR1
SCHEMBL31407768 0.73 CTSL (0.43) FFAR1IDO1TDO2MAOBCTSL
SCHEMBL9626415 0.73 SLC6A4 (0.49) FFAR1IDO1TDO2TACR1
SCHEMBL29540073 0.72 CTSL (0.49) MAOBCTSLPKMALOX5RIPK1
SCHEMBL15083607 0.72 CTSL (0.49) MAOBCTSLPKMALOX5RIPK1

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-0477184-A1 INHIBITORS OF MONO-AMINE OXIDASE, PROCESS FOR THEIR PREPARATION, AND THEIR USE IN THERAPEUTICS. FOURNIER INDUSTRIE ET SANTE (FR) 1992-04-01 — — EP disclosed
WO-1990011997-A2 INHIBITORS OF MONO-AMINE OXIDASE, PROCESS FOR THEIR PREPARATION, AND THEIR USE IN THERAPEUTICS. FOURNIER INNOVATION ET SYNERGIE (FR) 1990-10-18 — — WO disclosed
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