SCHEMBL1433013

SCHEMBL1433013

Cc1cc(C)c(C(=O)N[C@@H](Cc2cccc3ccccc23)C(=O)NCc2ccc(N)nc2)[nH]1

nearest known ligand 0.54

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 6/20 0.54
KLK1 P06870 2/20 0.41
OPRD1 P41143 1/20 0.40
TACR1 P25103 2/20 0.39
CTSS P25774 1/20 0.39
CTSK P43235 1/20 0.39
MASP2 O00187 3/20 0.39
CYP3A4 P08684 1/20 0.38

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
SCHEMBL1434866 0.90 KLKB1 (0.53) KLKB1KLK1TACR1CTSSCTSK
SCHEMBL1433580 0.88 KLKB1 (0.65) KLKB1KLK1MASP2
SCHEMBL1434273 0.87 F2 (0.50) KLKB1CTSSCTSKMASP2
SCHEMBL1435041 0.87 TACR1 (0.56) KLKB1TACR1
SCHEMBL1434448 0.87 KLKB1 (0.51) KLKB1KLK1MASP2CYP3A4
SCHEMBL1433064 0.86 KLKB1 (0.61) KLKB1KLK1CTSSCTSKMASP2
SCHEMBL1433139 0.85 KLKB1 (0.51) KLKB1KLK1MASP2
SCHEMBL1433012 0.85 KLKB1 (0.57) KLKB1KLK1CTSSMASP2
SCHEMBL1433394 0.85 KLKB1 (0.49) KLKB1KLK1TACR1MASP2
SCHEMBL1901459 0.84 OPRD1 (0.45) KLKB1OPRD1TACR1CTSSCTSK

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