SCHEMBL27611545

SCHEMBL27611545

Cc1cc2cc(Cn3cccc3)cnc2cc1NC(=O)c1ccc(Br)c(F)c1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 8/20 0.56
HTR2C P28335 7/20 0.56
HDAC1 Q13547 7/20 0.39
PTGDR2 Q9Y5Y4 1/20 0.39
FAAH O00519 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
MTOR P42345 1/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
HDAC6 Q9UBN7 1/20 0.36

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
SCHEMBL27611493 0.88 HTR2C (0.58) MCHR1HTR2CHDAC1FAAHMEN1
SCHEMBL5651954 0.86 MCHR1 (0.75) MCHR1HTR2CHDAC1
SCHEMBL27593303 0.84 MCHR1 (0.56) MCHR1HTR2CPTGDR2
SCHEMBL27611396 0.84 HTR2C (0.49) MCHR1HTR2CFAAHKMT2AALDH1A1
SCHEMBL27593236 0.82 MCHR1 (0.59) MCHR1HTR2CHDAC1MEN1KMT2A
SCHEMBL27611409 0.80 MCHR1 (0.60) MCHR1HTR2CHDAC1FAAH
SCHEMBL27611455 0.79 MCHR1 (0.56) MCHR1HTR2CHDAC1KMT2AALDH1A1
SCHEMBL27593277 0.78 MCHR1 (0.56) MCHR1HTR2CHDAC1
SCHEMBL27611461 0.77 MCHR1 (0.47) MCHR1HTR2CHDAC1MEN1KMT2A
SCHEMBL27611419 0.77 MCHR1 (0.53) 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