SCHEMBL7352218

SCHEMBL7352218

Nc1cncc2cc(-n3nncc3C(=O)Nc3ccc(-c4ccccc4)c(S(N)(=O)=O)c3)ccc12

nearest known ligand 0.53

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.53
▸ F2 P00734 4/20 0.53
▸ PRSS1 P07477 3/20 0.53
▸ PRSS2 P07478 3/20 0.53
▸ PRSS3 P35030 3/20 0.53

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
SCHEMBL5383621 0.91 F10 (0.64) F10F2PRSS1PRSS2PRSS3
SCHEMBL8170828 0.77 F10 (0.74) F10F2PRSS1PRSS2PRSS3
SCHEMBL27518385 0.77 F10 (0.77) F10F2PRSS1PRSS2PRSS3
SCHEMBL28824026 0.75 F10 (0.49) F10F2PRSS1PRSS2PRSS3
SCHEMBL5390738 0.73 F10 (0.77) F10F2PRSS1PRSS2PRSS3
SCHEMBL8169948 0.67 F10 (0.67) F10F2PRSS1PRSS2PRSS3
SCHEMBL28824022 0.67 F10 (0.56) F10F2PRSS1PRSS2PRSS3
SCHEMBL8169873 0.63 F10 (0.91) F10F2PRSS1PRSS2PRSS3
SCHEMBL8162653 0.63 F10 (1.00) F10F2PRSS1PRSS2PRSS3
SCHEMBL8170658 0.62 F10 (0.76) F10F2PRSS1PRSS2PRSS3

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-0991638-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS Du Pont Pharmaceuticals Company (US) 2000-04-12 — — EP disclosed
WO-1998057951-A1 NOVEL GUANIDINE MIMICS AS FACTOR Xa INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1998-12-23 — — WO disclosed
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