SCHEMBL7106036

SCHEMBL7106036

CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC(=O)[C@@H]1CCCN1Cc1ccc(C(=N)N)cc1

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F2 P00734 12/20 0.53
TMPRSS11D O60235 8/20 0.48
F10 P00742 1/20 0.44
PLG P00747 1/20 0.44
TMPRSS6 Q8IU80 2/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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 SCHEMBL7140906 0.99 F2 (0.54) F2TMPRSS11DF10PLGTMPRSS6
SCHEMBL7102500 0.92 F2 (0.51) F2TMPRSS11DF10PLGTMPRSS6
SCHEMBL7105056 0.92 F2 (0.46) F2F10PLG
SCHEMBL7102491 0.90 F2 (0.42) F2TMPRSS11DNPSR1
SCHEMBL7463647 0.88 F2 (0.42) F2TMPRSS11DPLGNPSR1
Hydrochloric Acid SCHEMBL7156977 0.87 F2 (0.43) F2TMPRSS11DNPSR1
SCHEMBL7102567 0.86 F2 (0.45) F2F10PLG
SCHEMBL7107383 0.85 F2 (0.55) F2TMPRSS11DNPSR1
Hydrochloric Acid SCHEMBL9228074 0.85 F2 (0.56) F2TMPRSS11DNPSR1
SCHEMBL7148741 0.84 F2 (0.61) F2NPSR1

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 4 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-B1 Antithrombotic agents ASTRAZENECA AB (SE) 2003-09-17 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