SCHEMBL1900640

SCHEMBL1900640

CC(C)[C@@H](O)C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1ccc(N)nc1

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KLKB1 P03952 5/20 0.43
FURIN P09958 1/20 0.42
MASP2 O00187 3/20 0.42
F7 P08709 1/20 0.41
KLK1 P06870 1/20 0.40
TSHR P16473 1/20 0.39
HTRA1 Q92743 4/20 0.38
F11 P03951 1/20 0.38
F2 P00734 1/20 0.37
CPB2 Q96IY4 1/20 0.37
CTSB P07858 1/20 0.37

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
SCHEMBL1900645 1.00 KLKB1 (0.43) KLKB1FURINMASP2F7KLK1
SCHEMBL3154110 0.89 KLKB1 (0.42) KLKB1FURINMASP2F7KLK1
SCHEMBL1432471 0.89 KLKB1 (0.42) KLKB1FURINMASP2F7KLK1
SCHEMBL3157804 0.88 MASP2 (0.44) KLKB1FURINMASP2F7KLK1
SCHEMBL3157823 0.88 MASP2 (0.44) KLKB1FURINMASP2F7KLK1
SCHEMBL3141397 0.88 KLKB1 (0.43) KLKB1FURINMASP2F7KLK1
SCHEMBL3141379 0.88 KLKB1 (0.43) KLKB1FURINMASP2F7KLK1
SCHEMBL1432594 0.87 FURIN (0.45) KLKB1FURINMASP2F7KLK1
SCHEMBL3149464 0.87 FURIN (0.45) KLKB1FURINMASP2F7KLK1
SCHEMBL1906175 0.86 PSMB1 (0.43) KLKB1FURINMASP2HTRA1CPB2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO claimed
WO-2011051671-A1 AMINOPYRIDINE DERIVATIVES AS KALLIKREIN INHIBITORS VANTIA LIMITED (GB) 2011-05-05 WO disclosed