SCHEMBL1870064

SCHEMBL1870064

CN1CCCC1C(=O)N[C@@H](Cc1ccc(Cl)c(Cl)c1)C(=O)NCc1cnc2[nH]ccc2c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MASP2 O00187 1/20 0.42
TACR1 P25103 6/20 0.42
KLKB1 P03952 8/20 0.41
KLK1 P06870 3/20 0.38
FNTA P49354 1/20 0.38
PGGT1B P53609 1/20 0.38
XIAP P98170 1/20 0.37
CTSL P07711 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
SCHEMBL1867150 0.92 MASP2 (0.43) MASP2TACR1KLKB1KLK1
SCHEMBL1867894 0.92 MASP2 (0.43) MASP2TACR1KLKB1KLK1
SCHEMBL1866418 0.90 CTSV (0.46) MASP2TACR1KLKB1CTSL
SCHEMBL1871181 0.90 MASP2 (0.43) MASP2TACR1KLKB1KLK1
SCHEMBL1874196 0.90 MASP2 (0.43) MASP2TACR1KLKB1KLK1
SCHEMBL1875013 0.90 KLKB1 (0.44) MASP2KLKB1KLK1
SCHEMBL1870902 0.89 MASP2 (0.43) MASP2TACR1KLKB1KLK1
SCHEMBL1861128 0.88 MASP2 (0.44) MASP2TACR1KLKB1KLK1CTSL
SCHEMBL1867433 0.88 MASP2 (0.42) MASP2KLKB1KLK1
SCHEMBL1880431 0.87 MASP2 (0.44) MASP2TACR1KLKB1

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
WO-2011051672-A1 AZAINDOLE DERIVATIVES VANTIA LIMITED (GB) 2011-05-05 WO disclosed