SCHEMBL4436085

SCHEMBL4436085

CCCNC(C)CCCc1cc2ccccc2o1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.44
HIF1A Q16665 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.42
MAOA P21397 1/20 0.41
MAOB P27338 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
MAPT P10636 1/20 0.39
AGXT P21549 1/20 0.39
HDAC3 O15379 1/20 0.39
DRD3 P35462 3/20 0.38
DRD2 P14416 3/20 0.38
DRD1 P21728 2/20 0.38
MEN1 O00255 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 1/20 0.36
TAS1R3 Q7RTX0 1/20 0.36
TAS1R1 Q7RTX1 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
SCHEMBL4340930 1.00 CYP2D6 (0.44) CYP2D6HIF1ALOXL2MAOAMAOB
SCHEMBL1287509 0.78 LOXL2 (0.56) LOXL2MAOBSMN1; SMN2L3MBTL1MAPT
SCHEMBL29594271 0.78 LOXL2 (0.56) LOXL2MAOBSMN1; SMN2L3MBTL1MAPT
SCHEMBL19550896 0.77 LOXL2 (0.43) CYP2D6HIF1ALOXL2MAOAMAOB
SCHEMBL252581 0.77 MAPT (0.60) LOXL2MAOAMAOBSMN1; SMN2L3MBTL1
Hydrochloric Acid SCHEMBL28989961 0.77 LOXL2 (0.55) LOXL2MAOBSMN1; SMN2L3MBTL1MAPT
SCHEMBL15980824 0.76 CYP2D6 (0.58) CYP2D6HIF1ALOXL2MAOAMAOB
SCHEMBL398301 0.76 LOXL2 (0.44) CYP2D6HIF1ALOXL2MAOAMAOB
SCHEMBL2486381 0.76 LOXL2 (0.44) CYP2D6HIF1ALOXL2MAOAMAOB
Hydrochloric Acid SCHEMBL27927458 0.75 LOXL2 (0.53) LOXL2MAOBSMN1; SMN2L3MBTL1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2125709-A2 COMPOUNDS THAT INHIBIT CHOLINESTERASE Colucid Pharmaceuticals, Inc. (US) 2009-12-02 EP disclosed
WO-2008097546-A2 COMPOUNDS THAT INHIBIT CHOLINESTERASE COLUCID PHARMACEUTICALS, INC. (US) 2008-08-14 WO disclosed
EP-1689704-A2 CARBAMOYL ESTERS THAT INHIBIT CHOLINESTERASE AND RELEASE PHARMACOLOGICALLY ACTIVE AGENTS CoLucid Pharmaceuticals, Inc. (US) 2006-08-16 EP disclosed
WO-2005042475-A2 CARBAMOYL ESTERS THAT INHIBIT CHOLINESTERASE AND RELEASE PHARMACOLOGICALLY ACTIVE AGENTS SENTION, INC. (US) 2005-05-12 WO disclosed