SCHEMBL7664264

SCHEMBL7664264

CCc1c(N)cccc1OCc1cc(C(=O)O)cc(-c2cccc(C(=N)N)c2)c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 5/20 0.46
MRGPRX4 Q96LA9 8/20 0.45
PTGER1 P34995 1/20 0.43
F10 P00742 1/20 0.42
PRSS1 P07477 1/20 0.40
PRSS2 P07478 1/20 0.40
PRSS3 P35030 1/20 0.40
NR4A2 P43354 1/20 0.40

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
SCHEMBL7661640 0.90 F2 (0.44) F2MRGPRX4F10PRSS1PRSS2
SCHEMBL7665750 0.80 MRGPRX4 (0.47) F2MRGPRX4
SCHEMBL7670816 0.80 F10 (0.67) F2MRGPRX4F10PRSS1PRSS2
SCHEMBL7454069 0.80 F2 (0.70) F2MRGPRX4F10PRSS1NR4A2
SCHEMBL8072969 0.79 F2 (0.54) F2MRGPRX4F10NR4A2
SCHEMBL7669668 0.76 MRGPRX4 (0.65) F2MRGPRX4F10NR4A2
SCHEMBL7660470 0.75 F2 (0.63) F2MRGPRX4F10NR4A2
SCHEMBL7660455 0.73 F2 (0.46) F2MRGPRX4F10PRSS1
SCHEMBL7663227 0.73 PPIA (0.46) F2MRGPRX4F10PRSS1
SCHEMBL7664103 0.72 F10 (0.62) F2MRGPRX4F10PRSS1PRSS2

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
US-6348478-B1 BLOOD COAGULATION FACTORS AND ANTICOAGULANTS TEIJIN LIMITED (JP) 2002-02-19 US disclosed
EP-1043311-A1 BIPHENYLAMIDINE DERIVATIVES TEIJIN LIMITED (JP) 2000-10-11 EP disclosed