SCHEMBL4466632

SCHEMBL4466632

CN(C)CCOc1cccc(-n2cc(-c3ccccn3)ccc2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.43
FGFR1 P11362 2/20 0.43
SRC P12931 2/20 0.43
ACVR1B P36896 1/20 0.43
TGFBR1 P36897 1/20 0.43
MAPK14 Q16539 1/20 0.42
CHRNB2 P17787 3/20 0.41
CHRNA4 P43681 3/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP19A1 P11511 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 2/20 0.40
LMNA P02545 1/20 0.40
ESR1 P03372 1/20 0.39
GRIA1 P42261 1/20 0.39

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
SCHEMBL1891168 0.82 GRIA1 (0.52) MCHR1FGFR1SRCACVR1BTGFBR1
SCHEMBL1881496 0.81 GRIA1 (0.49) MCHR1FGFR1SRCACVR1BTGFBR1
SCHEMBL4466635 0.81 ABL1 (0.39) CYP1A2CYP2D6CYP19A1CYP2C9CYP2C19
SCHEMBL1884643 0.79 GRIA1 (0.69) FGFR1SRCACVR1BTGFBR1ADORA2A
SCHEMBL1884751 0.79 GRIA1 (0.53) MCHR1FGFR1SRCACVR1BTGFBR1
SCHEMBL4466629 0.78 PDE10A (0.41) TGFBR1CYP1A2CYP2D6CYP19A1CYP2C9
SCHEMBL687912 0.76 GRIA1 (0.51) TGFBR1CYP1A2CYP2D6CYP2C9CYP2C19
SCHEMBL1886583 0.76 GRIA1 (0.67) FGFR1SRCADORA2AADORA1KDM4E
SCHEMBL2782807 0.76 GRIA1 (0.42) FGFR1ESR1GRIA1GRIA3PDE4D
SCHEMBL4138229 0.75 CYP2D6 (0.69) ACVR1BTGFBR1CHRNB2CHRNA4ADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009054543-A1 AMPA RECEPTOR ANTAGONISTS AND ZONISAMIDE FOR PARKINSON'S DISEASE AND MOVEMENT DISORDERS EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-04-30 WO disclosed