SCHEMBL1433464

SCHEMBL1433464

COc1ccc(C[C@H](NC(=O)c2[nH]c(C)cc2C)C(=O)NCc2ccc(N)nc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 10/20 0.60
CAPN1 P07384 3/20 0.48
CTSL P07711 7/20 0.46
CTSS P25774 7/20 0.46
KLK1 P06870 3/20 0.45
CTSK P43235 1/20 0.43

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
SCHEMBL1432898 0.92 KLKB1 (0.71) KLKB1KLK1
SCHEMBL1433012 0.91 KLKB1 (0.57) KLKB1CAPN1CTSLCTSSKLK1
SCHEMBL1433580 0.90 KLKB1 (0.65) KLKB1CAPN1KLK1
SCHEMBL1433306 0.89 KLKB1 (0.55) KLKB1CAPN1CTSLCTSSKLK1
SCHEMBL1433064 0.89 KLKB1 (0.61) KLKB1CAPN1CTSLCTSSKLK1
SCHEMBL1433003 0.88 KLKB1 (0.54) KLKB1CAPN1CTSLCTSSKLK1
SCHEMBL1432921 0.86 KLKB1 (0.52) KLKB1KLK1
SCHEMBL1432988 0.86 KLKB1 (0.52) KLKB1CAPN1KLK1
SCHEMBL1435369 0.85 KLKB1 (0.51) KLKB1CAPN1CTSLKLK1
SCHEMBL1433449 0.84 KLKB1 (0.57) KLKB1CTSLCTSSKLK1CTSK

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