SCHEMBL14619972

SCHEMBL14619972

CN(C)Cc1cnc2cc(NC(=O)c3ccc(-c4ccc(CI)cc4)cc3)ccc2c1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 10/20 0.56
HTR2C P28335 7/20 0.56
ABL1 P00519 1/20 0.47
WNT1 P04628 1/20 0.44
CLK2 P49760 1/20 0.44
CLK3 P49761 1/20 0.44
GSK3B P49841 1/20 0.44
DYRK1A Q13627 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SLC2A1 P11166 1/20 0.44
TRPV1 Q8NER1 1/20 0.43
MAPT P10636 1/20 0.42
THRB P10828 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
LRRK2 Q5S007 1/20 0.42
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42

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
SCHEMBL5645754 0.89 MCHR1 (0.68) MCHR1HTR2CCLK2DYRK1ANPC1
SCHEMBL5645535 0.79 KDM4E (0.56) MCHR1HTR2CNPC1RAB9AMAPT
SCHEMBL2925645 0.78 MCHR1 (0.55) MCHR1HTR2CWNT1CLK2CLK3
SCHEMBL5646747 0.75 MCHR1 (0.73) MCHR1HTR2CCLK2DYRK1ANPC1
SCHEMBL2929377 0.75 MCHR1 (0.60) MCHR1HTR2CABL1NPC1RAB9A
SCHEMBL5645508 0.74 MCHR1 (0.71) MCHR1HTR2CMAPT
SCHEMBL5644842 0.73 MCHR1 (0.70) MCHR1HTR2CABL1HDAC3HDAC1
SCHEMBL14619979 0.72 MCHR1 (0.43) MCHR1HTR2CNPC1MAPTHDAC1
SCHEMBL5648842 0.72 MCHR1 (1.00) MCHR1HTR2C
SCHEMBL5646024 0.72 MCHR1 (1.00) MCHR1HTR2C

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
US-7183415-B2 Quinoline compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-02-27 US disclosed