SCHEMBL6554736

SCHEMBL6554736

N=C(N)c1ccc(O)c(CNC(=O)c2cc(C=O)c(N3CCCC3)c(OC(F)(F)F)c2)c1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DDR1 Q08345 10/20 0.41
F10 P00742 8/20 0.37
PRSS1 P07477 4/20 0.37
F2 P00734 4/20 0.37
KLKB1 P03952 1/20 0.35
ROCK2 O75116 1/20 0.34
ROCK1 Q13464 1/20 0.34

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
SCHEMBL6554935 0.79 F10 (0.47) DDR1F10PRSS1F2
Hydrochloric Acid SCHEMBL7565439 0.79 F10 (0.46) DDR1F10PRSS1F2
SCHEMBL6554861 0.69 F10 (0.42) DDR1F10PRSS1F2KLKB1
Hydrochloric Acid SCHEMBL7565314 0.69 F10 (0.42) DDR1F10PRSS1F2KLKB1
SCHEMBL2997517 0.66 F10 (0.45) F10PRSS1F2KLKB1
SCHEMBL7560748 0.66 F10 (0.44) F10PRSS1F2KLKB1
Hydrochloric Acid SCHEMBL6554962 0.66 F10 (0.44) F10PRSS1F2KLKB1
SCHEMBL7563218 0.65 F10 (0.46) F10PRSS1F2KLKB1
Hydrochloric Acid SCHEMBL6554511 0.65 F10 (0.43) F10PRSS1F2KLKB1
SCHEMBL7562747 0.63 F10 (0.38) DDR1F10PRSS1KLKB1ROCK2

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
EP-1390357-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS Boehringer Ingelheim Pharma GmbH & Co. KG (DE) 2004-02-25 EP disclosed
WO-2002062778-A2 ANTI-THROMBOTIC COMPOUNDS, PRODUCTION AND USE THEREOF AS MEDICAMENTS BOEHRINGER INGELHEIM PHARMA GMBH & CO. KG (DE) 2002-08-15 WO disclosed