SCHEMBL7454069

SCHEMBL7454069

N=C(N)c1cccc(OCc2cc(C(=O)O)cc(-c3cccc(C(=N)N)c3)c2)c1

nearest known ligand 0.70

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.70
NR4A2 P43354 2/20 0.63
F10 P00742 2/20 0.60
MRGPRX4 Q96LA9 2/20 0.60
NR1H4 Q96RI1 1/20 0.53
PRSS1 P07477 1/20 0.51

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
SCHEMBL7670816 0.95 F10 (0.67) F2NR4A2F10MRGPRX4NR1H4
SCHEMBL7660470 0.92 F2 (0.63) F2NR4A2F10MRGPRX4NR1H4
SCHEMBL7454072 0.87 F2 (0.66) F2NR4A2F10MRGPRX4NR1H4
SCHEMBL7719048 0.87 F2 (0.66) F2NR4A2F10MRGPRX4PRSS1
SCHEMBL8072969 0.87 F2 (0.54) F2NR4A2F10MRGPRX4
SCHEMBL7450278 0.86 F2 (0.72) F2NR4A2F10PRSS1
SCHEMBL7718664 0.86 F2 (0.65) F2NR4A2F10MRGPRX4PRSS1
SCHEMBL7452930 0.86 F2 (0.94) F2NR4A2F10PRSS1
SCHEMBL7669668 0.86 MRGPRX4 (0.65) F2NR4A2F10MRGPRX4NR1H4
SCHEMBL7664103 0.84 F10 (0.62) F2NR4A2F10MRGPRX4PRSS1

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