SCHEMBL7450280

SCHEMBL7450280

N=C(N)c1ccc(-c2cccc(COc3cccc(C(=N)N)c3)c2)cc1

nearest known ligand 0.87

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F2 P00734 13/20 0.87
F10 P00742 1/20 0.66
NR4A2 P43354 1/20 0.61
PRSS1 P07477 2/20 0.56

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
SCHEMBL7452930 0.93 F2 (0.94) F2F10NR4A2PRSS1
SCHEMBL7448763 0.90 F2 (0.85) F2F10PRSS1
SCHEMBL7450283 0.90 F2 (0.91) F2F10PRSS1
SCHEMBL7447051 0.89 F2 (0.89) F2F10PRSS1
SCHEMBL7450042 0.89 F2 (0.83) F2F10PRSS1
SCHEMBL7448742 0.87 F2 (0.80) F2F10PRSS1
SCHEMBL7455175 0.87 F2 (0.84) F2F10
Hydrochloric Acid SCHEMBL34433766 0.86 F2 (1.00) F2F10PRSS1
Hydrochloric Acid SCHEMBL28553434 0.86 F2 (1.00) F2F10PRSS1
SCHEMBL7450261 0.85 F2 (0.72) F2F10PRSS1

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