SCHEMBL8723792

SCHEMBL8723792

N=C(N)c1ccc(CNC(=O)[C@]2(CC(O)C(c3ccccc3)c3ccccc3)CCCN2CC(=O)O)cc1

nearest known ligand 0.46

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TPSAB1 Q15661 2/20 0.46
F2 P00734 15/20 0.43
PROC P04070 6/20 0.43
F7 P08709 3/20 0.42
F3 P13726 2/20 0.42
F10 P00742 1/20 0.39

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
SCHEMBL8727239 0.86 F2 (0.46) TPSAB1F2PROCF7F3
SCHEMBL8727289 0.81 F2 (0.47) TPSAB1F2PROCF7F10
SCHEMBL7050535 0.69 F2 (0.44) TPSAB1F2PROC
SCHEMBL7355230 0.65 F2 (0.44) F2PROCF10
SCHEMBL7362891 0.65 F2 (0.44) F2PROCF7F3F10
SCHEMBL5041565 0.65 TPSAB1 (0.62) TPSAB1F2F7F10
SCHEMBL5041567 0.65 TPSAB1 (0.62) TPSAB1F2F7F10
Acetic Acid SCHEMBL6475620 0.64 F2 (0.75) F2F10
Hydrochloric Acid SCHEMBL5041868 0.64 TPSAB1 (0.60) TPSAB1F2F7F10
Hydrochloric Acid SCHEMBL5041862 0.64 TPSAB1 (0.60) TPSAB1F2F7F10

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-0873356-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1998-10-28 EP disclosed
WO-1996025426-A1 NOVEL DIPEPTIDE AMIDINES AS THROMBIN INHIBITORS BASF AKTIENGESELLSCHAFT (DE) 1996-08-22 WO disclosed