SCHEMBL7363339

SCHEMBL7363339

CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C=NN)c(O)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TMPRSS11D O60235 12/20 0.49
F2 P00734 6/20 0.47
F10 P00742 4/20 0.47
PLG P00747 3/20 0.47
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
CYP2C19 P33261 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45
ALDH1A1 P00352 1/20 0.43

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 SCHEMBL7156980 0.99 TMPRSS11D (0.49) TMPRSS11DF2F10PLGCYP3A4
SCHEMBL7363788 0.96 TMPRSS11D (0.45) TMPRSS11DF2F10PLGCYP3A4
SCHEMBL7105058 0.90 TMPRSS11D (0.48) TMPRSS11DF2F10PLGCYP3A4
SCHEMBL7106038 0.90 TMPRSS11D (0.53) TMPRSS11DF2F10PLGCYP3A4
Hydrochloric Acid SCHEMBL27584411 0.89 TMPRSS11D (0.52) TMPRSS11DF2F10PLGCYP3A4
Hydrochloric Acid SCHEMBL7140908 0.89 TMPRSS11D (0.52) TMPRSS11DF2F10PLGCYP3A4
SCHEMBL7463636 0.86 TMPRSS11D (0.55) TMPRSS11DF2F10PLGCYP3A4
Hydrochloric Acid SCHEMBL7156972 0.85 TMPRSS11D (0.55) TMPRSS11DF2F10PLGCYP3A4
SCHEMBL7102504 0.83 CYP3A4 (0.49) TMPRSS11DF2F10PLGCYP3A4
SCHEMBL7102595 0.83 TMPRSS11D (0.50) TMPRSS11DF2F10PLGPRSS1

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-0816376-B1 Trombin inhibitors as anticoagulant agents LILLY CO ELI (US) 2002-11-06 EP claimed
US-6200967-B1 USED AS THROMBIN INHIBITORS, COAGULATION INHIBITORS AND AGENTS FOR THE TREATMENT OF THROMBOEMBOLIC DISORDERS ELI LILLY AND COMPANY 2001-03-13 US claimed
EP-0816376-A1 Trombin inhibitors as anticoagulant agents ELI LILLY AND COMPANY (US) 1998-01-07 EP claimed
WO-1997049404-A1 ANTICOAGULANT AGENTS ELI LILLY AND COMPANY (US) 1997-12-31 WO claimed