SCHEMBL7144656

SCHEMBL7144656

C[C@H](N)C(=O)NC(=O)[C@@H]1CC(C2CCCCC2)CN1Cc1ccc(C(=N)N)cc1

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.45
F11 P03951 1/20 0.37
PTGER4 P35408 1/20 0.37
PLG P00747 1/20 0.36
PRSS1 P07477 1/20 0.36
PRSS2 P07478 1/20 0.36
PRSS3 P35030 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36

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
Hydrochloric Acid SCHEMBL7148146 0.99 F2 (0.46) F2F11PTGER4PLGPRSS1
SCHEMBL7247787 0.87 F2 (0.35) F2PLGPRSS1PRSS2PRSS3
SCHEMBL7139402 0.86 PTGER4 (0.36) F2PTGER4
Hydrochloric Acid SCHEMBL7158175 0.86 F2 (0.36) F2PLGPRSS1PRSS2PRSS3
SCHEMBL7104093 0.85 NPSR1 (0.34) F2PTGER4PRSS1
Hydrochloric Acid SCHEMBL7144181 0.84 NPSR1 (0.34) F2PTGER4
SCHEMBL7361838 0.84 PTGER4 (0.35) F2PTGER4
Hydrochloric Acid SCHEMBL7142554 0.84 PTGER4 (0.35) F2PTGER4
SCHEMBL7100961 0.83 XIAP (0.35) F2PTGER4
SCHEMBL7101675 0.83 PTGER4 (0.35) F2PTGER4

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1361212-A1 Peptide derivatives as antithrombotic agents AstraZeneca AB (SE) 2003-11-12 EP claimed
EP-0672658-A1 Antithrombotic agents ELI LILLY AND COMPANY (US) 1995-09-20 EP claimed
WO-1995023609-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1995-09-08 WO claimed