SCHEMBL7454072

SCHEMBL7454072

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

nearest known ligand 0.66

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.66
F10 P00742 1/20 0.53
NR4A2 P43354 1/20 0.53
MRGPRX4 Q96LA9 1/20 0.50
PRSS1 P07477 4/20 0.48
PLG P00747 1/20 0.48
PRSS2 P07478 1/20 0.48
C1S P09871 1/20 0.48
PRSS3 P35030 1/20 0.48
NR1H4 Q96RI1 1/20 0.47

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
SCHEMBL7453459 0.88 F2 (0.62) F2F10NR4A2MRGPRX4PRSS1
SCHEMBL7718664 0.88 F2 (0.65) F2F10NR4A2MRGPRX4PRSS1
SCHEMBL7454069 0.87 F2 (0.70) F2F10NR4A2MRGPRX4PRSS1
SCHEMBL7450278 0.83 F2 (0.72) F2F10NR4A2PRSS1
SCHEMBL7452930 0.83 F2 (0.94) F2F10NR4A2PRSS1
SCHEMBL7719450 0.83 F2 (0.61) F2F10NR4A2PRSS1NR1H4
SCHEMBL7670816 0.82 F10 (0.67) F2F10NR4A2MRGPRX4PRSS1
SCHEMBL7660470 0.82 F2 (0.63) F2F10NR4A2MRGPRX4NR1H4
SCHEMBL7719048 0.82 F2 (0.66) F2F10NR4A2MRGPRX4PRSS1
SCHEMBL7455175 0.80 F2 (0.84) F2F10MRGPRX4

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 8 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
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
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