SCHEMBL3367221

SCHEMBL3367221

N[C@@H]1CC(=O)N(c2ccc(OCc3cccc(F)c3)cc2)C1

nearest known ligand 0.67

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAOB P27338 15/20 0.67
MAOA P21397 7/20 0.67
POLB P06746 2/20 0.54
NPC1 O15118 1/20 0.54
RAB9A P51151 1/20 0.54
PARP10 Q53GL7 1/20 0.50
KCNH2 Q12809 1/20 0.50
MCHR1 Q99705 1/20 0.50
NR4A2 P43354 1/20 0.48

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
SCHEMBL2445758 1.00 MAOB (0.67) MAOBMAOAPOLBNPC1RAB9A
SCHEMBL2441820 1.00 MAOB (0.67) MAOBMAOAPOLBNPC1RAB9A
Hydrochloric Acid SCHEMBL3365163 0.99 MAOB (0.66) MAOBMAOAPOLBNPC1RAB9A
Hydrochloric Acid SCHEMBL3365169 0.99 MAOB (0.66) MAOBMAOAPOLBNPC1RAB9A
Hydrochloric Acid SCHEMBL3370177 0.99 MAOB (0.66) MAOBMAOAPOLBNPC1RAB9A
SCHEMBL19863552 0.86 MAOB (0.70) MAOBMAOAPOLBNPC1RAB9A
SCHEMBL18020923 0.86 MAOB (0.70) MAOBMAOAPOLBNPC1RAB9A
SCHEMBL3365516 0.86 NPC1 (0.71) MAOBMAOAPOLBNPC1RAB9A
SCHEMBL3365524 0.86 NPC1 (0.71) MAOBMAOAPOLBNPC1RAB9A
SCHEMBL1380803 0.85 RAB9A (0.77) MAOBMAOAPOLBNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1542970-B1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS HOFFMANN LA ROCHE (CH) 2010-06-30 EP disclosed
CN-100400509-C Pyrrolidone derivatives as MAOB inhibitors HOFFMANN LA ROCHE (CH) 2008-07-09 CN disclosed
US-7151111-B2 4-pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. (US) 2006-12-19 US disclosed
CN-1681778-A Pyrrolidone derivatives as MAOB inhibitors HOFFMANN LA ROCHE (CH) 2005-10-12 CN disclosed
EP-1542970-A1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2005-06-22 EP disclosed
US-20040116707-A1 4-Pyrrolidino-phenyl-benzyl ether derivatives HOFFMANN-LA ROCHE INC. 2004-06-17 US disclosed
WO-2004026825-A1 PYRROLIDONE DERIVATIVES AS MAOB INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2004-04-01 WO disclosed