SCHEMBL27611533

SCHEMBL27611533

O=C(Nc1cc2ncc(Cn3cccc3)cc2cc1Cl)c1ccc(-c2ccc(Cl)s2)cc1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.56
HTR2C P28335 10/20 0.56
PRSS12 P56730 2/20 0.40
HDAC1 Q13547 4/20 0.39
KCNH2 Q12809 3/20 0.39
GRIN1 Q05586 1/20 0.37
GRIN2B Q13224 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
TP53 P04637 1/20 0.37
MAPT P10636 1/20 0.37

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
SCHEMBL27593224 0.91 MCHR1 (0.55) MCHR1HTR2CPRSS12HDAC1GRIN1
SCHEMBL5649385 0.87 MCHR1 (0.75) MCHR1HTR2CHDAC1KCNH2
SCHEMBL27611413 0.84 MCHR1 (0.58) MCHR1HTR2CHDAC1KCNH2HDAC6
SCHEMBL28753577 0.83 MCHR1 (0.59) MCHR1HTR2C
SCHEMBL5646888 0.79 MCHR1 (0.73) MCHR1HTR2CHDAC1
SCHEMBL5647195 0.78 MCHR1 (0.72) MCHR1HTR2CHDAC1
SCHEMBL27611551 0.77 HTR2C (0.47) MCHR1HTR2CTP53
SCHEMBL27611463 0.74 MCHR1 (0.60) MCHR1HTR2C
SCHEMBL5651141 0.73 MCHR1 (0.86) MCHR1HTR2CHDAC1KCNH2
SCHEMBL27611409 0.73 MCHR1 (0.60) MCHR1HTR2CHDAC1MAPT

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