SCHEMBL9626415

SCHEMBL9626415

CNC(C)CCC(OCc1cccc(Cl)c1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ SLC6A4 P31645 2/20 0.49
▸ IDO1 P14902 2/20 0.48
▸ TDO2 P48775 1/20 0.48
▸ FFAR1 O14842 1/20 0.45
▸ TACR1 P25103 3/20 0.44
▸ CACNA2D1 P54289 7/20 0.43
▸ SLC6A2 P23975 4/20 0.43
▸ CHRNB2 P17787 1/20 0.43
▸ CHRNA4 P43681 1/20 0.43
▸ CYP3A4 P08684 1/20 0.40
▸ AGXT P21549 1/20 0.40
▸ NOS2 P35228 1/20 0.40
▸ LMNA P02545 1/20 0.40

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
SCHEMBL9626522 0.73 MAOB (0.60) —
SCHEMBL9626517 0.73 FFAR1 (0.42) IDO1TDO2FFAR1TACR1
SCHEMBL5411666 0.72 CASR (0.49) IDO1FFAR1TACR1CACNA2D1SLC6A2
SCHEMBL9626408 0.72 MAOB (0.57) —
SCHEMBL10314841 0.71 CYP3A4 (0.58) IDO1TACR1CYP3A4AGXT
SCHEMBL9627112 0.71 MAOB (0.58) —
SCHEMBL9628042 0.70 MAOB (0.61) —
SCHEMBL178510 0.70 PNMT (0.65) SLC6A4SLC6A2
SCHEMBL10859369 0.69 CHRNB2 (0.70) IDO1TDO2TACR1CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL23524229 0.69 PNMT (0.62) SLC6A4SLC6A2

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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