SCHEMBL27593277

SCHEMBL27593277

Cc1cc2cc(Cn3cccc3)cnc2cc1NC(=O)c1ccc(-c2ccc(Cl)cc2)nc1

nearest known ligand 0.56

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 13/20 0.56
HTR2C P28335 10/20 0.56
MAPT P10636 2/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
RXFP1 Q9HBX9 1/20 0.40
HTT P42858 1/20 0.39
HDAC1 Q13547 2/20 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
SCHEMBL27611419 0.91 MCHR1 (0.53) MCHR1HTR2CHDAC1
SCHEMBL5648818 0.87 MCHR1 (0.74) MCHR1HTR2CHDAC1
SCHEMBL27593333 0.85 MCHR1 (0.76) MCHR1HTR2CMAPTSMN1; SMN2RXFP1
SCHEMBL27611417 0.84 MCHR1 (0.65) MCHR1HTR2C
SCHEMBL27593224 0.82 MCHR1 (0.55) MCHR1HTR2CMAPTLMNASMN1; SMN2
SCHEMBL27611493 0.82 HTR2C (0.58) MCHR1HTR2CMAPTLMNASMN1; SMN2
SCHEMBL27611409 0.81 MCHR1 (0.60) MCHR1HTR2CMAPTHDAC1
SCHEMBL27611455 0.80 MCHR1 (0.56) MCHR1HTR2CSMN1; SMN2HDAC1
SCHEMBL5647112 0.80 MCHR1 (0.77) MCHR1HTR2CHDAC1
SCHEMBL5651130 0.79 MCHR1 (0.83) 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