SCHEMBL1433141

SCHEMBL1433141

Cc1nc(N)ccc1CNC(=O)[C@H](Cc1ccccc1C(F)(F)F)NC(=O)c1cc2ccccc2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.48
F2 P00734 5/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44
CTSL P07711 2/20 0.43
CTSS P25774 2/20 0.43
PYGL P06737 1/20 0.42
TAS1R3 Q7RTX0 1/20 0.42
TAS1R1 Q7RTX1 1/20 0.42
SCN9A Q15858 2/20 0.41
SCN10A Q9Y5Y9 1/20 0.41
MASP2 O00187 3/20 0.41
HSPA8 P11142 1/20 0.41
HSPA2 P54652 1/20 0.41
CTSK P43235 1/20 0.41
DRD2 P14416 1/20 0.41
PTGES O14684 1/20 0.40

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
SCHEMBL1433349 0.87 F2 (0.51) MCHR1F2CTSLCTSSPYGL
SCHEMBL1433255 0.86 F2 (0.52) MCHR1F2CTSLCTSSPYGL
SCHEMBL1433514 0.84 CCKBR (0.57) CTSL
SCHEMBL1433599 0.83 PYGL (0.50) F2PYGLMASP2HSPA8HSPA2
SCHEMBL1433165 0.82 F2 (0.49) MCHR1F2PYGL
SCHEMBL1433554 0.82 PYGL (0.52) F2CTSLCTSSPYGLCTSK
SCHEMBL1433533 0.79 PYGL (0.49) MCHR1F2CTSLCTSSPYGL
SCHEMBL3157282 0.78 F2 (0.49) F2PRSS1PRSS2PRSS3MASP2
SCHEMBL1434686 0.77 MCHR1 (0.55) MCHR1F2CTSLCTSSPYGL
SCHEMBL1432813 0.76 HDAC3 (0.53) PYGL

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