SCHEMBL7413407

SCHEMBL7413407

CN1CCN=C1c1cccc(Oc2nc(Oc3cc(C#N)ccc3OCc3ccccc3)c(F)c(SCC(=O)O)c2F)c1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F2 P00734 7/20 0.47
F10 P00742 7/20 0.47
PTGER1 P34995 3/20 0.38
PLAU P00749 7/20 0.36
PLG P00747 5/20 0.36
PLAT P00750 3/20 0.36
SLC6A9 P48067 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.34
MET P08581 1/20 0.33

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
SCHEMBL6741887 0.88 F10 (0.41) F2F10PTGER1PLAUPLG
SCHEMBL8060516 0.84 F2 (0.47) F2F10PTGER1PLAUPLG
SCHEMBL6578675 0.84 F2 (0.47) F2F10PTGER1PLAUMRGPRX4
SCHEMBL6593359 0.84 F10 (0.46) F2F10PTGER1PLAUPLG
SCHEMBL7414461 0.84 F2 (0.49) F2F10PTGER1PLAUPLG
SCHEMBL6593254 0.83 F10 (0.44) F2F10PTGER1PLAUPLG
SCHEMBL6591304 0.83 F10 (0.48) F2F10PTGER1PLAUPLG
SCHEMBL6592625 0.83 F10 (0.55) F2F10PTGER1PLAUPLG
SCHEMBL6593401 0.83 F2 (0.44) F2F10PTGER1PLAUPLG
SCHEMBL7422372 0.83 F2 (0.46) F2F10PTGER1PLAUPLG

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
EP-0934310-A1 THIO ACID DERIVED MONOCYCLIC $i(N)-HETEROCYCLICS AS ANTICOAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1999-08-11 EP disclosed
WO-1998015547-A1 THIO ACID DERIVED MONOCYCLIC N-HETEROCYCLICS AS ANTICOAGULANTS SCHERING AKTIENGESELLSCHAFT (DE) 1998-04-16 WO disclosed