SCHEMBL7450283

SCHEMBL7450283

N=C(N)c1ccc(OCc2cccc(-c3ccc(C(=N)N)cc3)c2)cc1

nearest known ligand 0.91

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.91
PRSS1 P07477 3/20 0.67
PRSS2 P07478 3/20 0.67
PRSS3 P35030 3/20 0.67
TMPRSS6 Q8IU80 2/20 0.64
ST14 Q9Y5Y6 2/20 0.64
F10 P00742 1/20 0.62

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
SCHEMBL7447051 0.93 F2 (0.89) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7448742 0.91 F2 (0.80) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7450280 0.90 F2 (0.87) F2PRSS1F10
SCHEMBL14543821 0.89 F2 (1.00) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7450261 0.89 F2 (0.72) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL28553185 0.88 F2 (1.00) F2PRSS1PRSS2PRSS3TMPRSS6
Hydrochloric Acid SCHEMBL7091092 0.85 F2 (0.76) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7442771 0.84 F2 (0.89) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7449474 0.84 F2 (0.89) F2PRSS1PRSS2PRSS3TMPRSS6
SCHEMBL7721448 0.84 F2 (0.74) F2PRSS1PRSS2PRSS3TMPRSS6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214291-A1 BIPHENYL DERIVATIVES USED AS NHE-3 INHIBITORS MERCK PATENT GmbH (DE) 2002-06-19 EP disclosed
US-6380430-B1 ANTICOAGULANTS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTERHAFTUNG (DE) 2002-04-30 US disclosed
WO-2001021582-A1 BIPHENYL DERIVATIVES USED AS NHE-3 INHIBITORS MERCK PATENT GMBH (DE) 2001-03-29 WO disclosed
EP-1076643-A1 BIPHENYL DERIVATIVES MERCK PATENT GmbH (DE) 2001-02-21 EP disclosed
WO-1999057096-A1 BIPHENYL DERIVATIVES MERCK PATENT GMBH (DE) 1999-11-11 WO disclosed