SCHEMBL1433128

SCHEMBL1433128

Nc1ccc(CNC(=O)[C@H](Cc2cccc(C(F)(F)F)c2)NC(=O)c2cc3ccccc3[nH]2)cn1

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ MCHR1 Q99705 4/20 0.56
▸ MAPK14 Q16539 1/20 0.46
▸ CTNNB1 P35222 3/20 0.46
▸ PYGL P06737 1/20 0.45
▸ ALB P02768 2/20 0.45
▸ IL2 P60568 2/20 0.45
▸ NAMPT P43490 1/20 0.43
▸ HDAC2 Q92769 1/20 0.43
▸ CNR2 P34972 1/20 0.43
▸ CTSL P07711 1/20 0.43
▸ CTSS P25774 1/20 0.43
▸ CTSK P43235 1/20 0.43
▸ CYP51A1 Q16850 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
SCHEMBL1433480 0.90 MCHR1 (0.48) MCHR1CTNNB1PYGLALBIL2
SCHEMBL1433228 0.88 PYGL (0.49) MCHR1CTNNB1PYGLALBIL2
SCHEMBL1433942 0.88 CTNNB1 (0.54) MCHR1CTNNB1PYGLALBIL2
SCHEMBL1433787 0.87 MCHR1 (0.50) MCHR1CTNNB1PYGLALBIL2
SCHEMBL1433255 0.87 F2 (0.52) MCHR1MAPK14CTNNB1PYGLALB
SCHEMBL3145207 0.86 MAPK14 (0.48) MCHR1MAPK14CNR2CTSL
SCHEMBL1433846 0.86 MCHR1 (0.49) MCHR1CTNNB1PYGLALBIL2
SCHEMBL1433066 0.85 MAPK14 (0.47) MCHR1MAPK14CTSL
SCHEMBL1432911 0.84 MCHR1 (0.49) MCHR1CTNNB1PYGLALBIL2
SCHEMBL1433134 0.84 MCHR1 (0.47) MCHR1CTNNB1PYGLALBIL2

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
EP-2300428-A1 AMINOPYRIDINE DERIVATIVES Vantia Limited (GB) 2011-03-30 — — EP disclosed
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