SCHEMBL7106038

SCHEMBL7106038

CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCc1ccc(C=NN)cc1

nearest known ligand 0.53

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TMPRSS11D O60235 12/20 0.53
F2 P00734 6/20 0.50
F10 P00742 4/20 0.50
PLG P00747 3/20 0.50
CYP3A4 P08684 1/20 0.49
CYP2C9 P11712 1/20 0.49
PKM P14618 1/20 0.49
CYP2C19 P33261 1/20 0.49
ALDH1A1 P00352 1/20 0.47
NPC1 O15118 1/20 0.45
TACR1 P25103 1/20 0.45
PRSS1 P07477 1/20 0.45
PRSS2 P07478 1/20 0.45
PRSS3 P35030 1/20 0.45

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 SCHEMBL27584411 0.99 TMPRSS11D (0.52) TMPRSS11DF2F10PLGCYP3A4
Hydrochloric Acid SCHEMBL7140908 0.99 TMPRSS11D (0.52) TMPRSS11DF2F10PLGCYP3A4
SCHEMBL7102504 0.92 CYP3A4 (0.49) TMPRSS11DF2F10PLGCYP3A4
SCHEMBL7105058 0.92 TMPRSS11D (0.48) TMPRSS11DF2F10PLGCYP3A4
SCHEMBL7363339 0.90 TMPRSS11D (0.49) TMPRSS11DF2F10PLGCYP3A4
Hydrochloric Acid SCHEMBL7156980 0.89 TMPRSS11D (0.49) TMPRSS11DF2F10PLGCYP3A4
SCHEMBL27470814 0.87 ALDH1A1 (0.48) TMPRSS11DF2F10PLGCYP3A4
SCHEMBL7107389 0.87 ALDH1A1 (0.48) TMPRSS11DF2F10PLGCYP3A4
SCHEMBL7102489 0.86 TMPRSS11D (0.56) TMPRSS11DF2F10PLGCYP3A4
SCHEMBL7102493 0.86 TMPRSS11D (0.56) TMPRSS11DF2F10PLGCYP3A4

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