SCHEMBL27611409

SCHEMBL27611409

Cc1cc2cc(Cn3cccc3)cnc2cc1NC(=O)c1ccc(-c2ccc3ccccc3c2)cc1

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.60
HTR2C P28335 9/20 0.60
HDAC1 Q13547 3/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
MAPK14 Q16539 1/20 0.42
SMO Q99835 1/20 0.42
MAPT P10636 1/20 0.42
FAAH O00519 1/20 0.41

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
SCHEMBL5647206 0.88 MCHR1 (0.79) MCHR1HTR2CHDAC1
SCHEMBL27611493 0.86 HTR2C (0.58) MCHR1HTR2CHDAC1MAPTFAAH
SCHEMBL27611455 0.84 MCHR1 (0.56) MCHR1HTR2CHDAC1NPC1RAB9A
SCHEMBL27593224 0.82 MCHR1 (0.55) MCHR1HTR2CHDAC1MAPT
SCHEMBL27593277 0.81 MCHR1 (0.56) MCHR1HTR2CHDAC1MAPT
SCHEMBL27611419 0.81 MCHR1 (0.53) MCHR1HTR2CHDAC1
SCHEMBL27611545 0.80 MCHR1 (0.56) MCHR1HTR2CHDAC1FAAH
SCHEMBL5645505 0.77 MCHR1 (0.86) MCHR1HTR2CHDAC1
SCHEMBL5644815 0.76 MCHR1 (0.80) MCHR1HTR2C
SCHEMBL5647406 0.75 MCHR1 (1.00) MCHR1HTR2CHDAC1

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
CN-1585751-A Quinoline compound TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2005-02-23 CN disclosed