SCHEMBL7658103

SCHEMBL7658103

CNc1ccc(OCc2cc(C(=O)OC)cc(-c3cccc(C(=N)N)c3)c2)cc1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F2 P00734 11/20 0.53
F10 P00742 1/20 0.49
MRGPRX4 Q96LA9 3/20 0.48
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
ALDH1A1 P00352 1/20 0.45
LMNA P02545 1/20 0.45
RAB9A P51151 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45

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
SCHEMBL7664103 0.90 F10 (0.62) F2F10MRGPRX4PRSS1PRSS2
SCHEMBL7719048 0.89 F2 (0.66) F2F10MRGPRX4PRSS1
SCHEMBL7668854 0.88 F2 (0.51) F2F10MRGPRX4PRSS1PRSS2
SCHEMBL7665464 0.88 MRGPRX4 (0.54) F2F10MRGPRX4PRSS1PRSS2
SCHEMBL7668085 0.85 F2 (0.58) F2F10MRGPRX4
SCHEMBL7660549 0.85 F2 (0.52) F2F10MRGPRX4LMNA
SCHEMBL7666941 0.84 F2 (0.60) F2F10MRGPRX4PRSS1PRSS2
SCHEMBL7664269 0.84 F2 (0.60) F2F10MRGPRX4PRSS1
SCHEMBL7665912 0.83 MRGPRX4 (0.48) MRGPRX4KDM4ENPC1ALDH1A1LMNA
SCHEMBL8072787 0.82 F2 (0.49) F2F10MRGPRX4NPC1ALDH1A1

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