SCHEMBL1434686

SCHEMBL1434686

COc1ccc2[nH]c(C(=O)N[C@@H](Cc3cccc(C(F)(F)F)c3)C(=O)NCc3ccc(N)nc3C)cc2c1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.55
F2 P00734 3/20 0.51
PYGL P06737 1/20 0.50
MASP2 O00187 2/20 0.48
CTSL P07711 4/20 0.48
CTNNB1 P35222 3/20 0.47
KDM4E B2RXH2 3/20 0.46
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
ALDH1A1 P00352 1/20 0.42
CTSS P25774 2/20 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
SCHEMBL1433255 0.90 F2 (0.52) MCHR1F2PYGLMASP2CTSL
SCHEMBL1434012 0.89 PYGL (0.52) MCHR1F2PYGLCTSLCTNNB1
SCHEMBL1433077 0.85 PYGL (0.49) MCHR1F2PYGLCTNNB1KDM4E
SCHEMBL1433533 0.84 PYGL (0.49) MCHR1F2PYGLCTSLCTNNB1
SCHEMBL1433111 0.81 F2 (0.53) F2MASP2CTSL
SCHEMBL1432813 0.81 HDAC3 (0.53) PYGLKDM4EMAPT
SCHEMBL1433599 0.81 PYGL (0.50) F2PYGLMASP2CTNNB1
SCHEMBL1432834 0.80 PYGL (0.53) MCHR1PYGLCTSLCTNNB1KDM4E
SCHEMBL1435079 0.79 PYGL (0.52) MCHR1PYGLCTSLCTNNB1KDM4E
SCHEMBL1433554 0.78 PYGL (0.52) F2PYGLCTSLCTNNB1CTSS

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