SCHEMBL7104150

SCHEMBL7104150

CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCCc1ccc(C(N)=NO)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TMPRSS11D O60235 12/20 0.48
CYP3A4 P08684 1/20 0.48
MAPT P10636 1/20 0.48
CYP2C9 P11712 1/20 0.48
TSHR P16473 1/20 0.48
RAB9A P51151 1/20 0.48
F2 P00734 3/20 0.47
F10 P00742 3/20 0.47
PLG P00747 3/20 0.47
POLB P06746 1/20 0.46
FKBP1A P62942 2/20 0.46
ATM Q13315 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL7104147 1.00 TMPRSS11D (0.48) TMPRSS11DCYP3A4MAPTCYP2C9TSHR
SCHEMBL7102496 0.92 TMPRSS11D (0.44) TMPRSS11DCYP3A4MAPTCYP2C9TSHR
SCHEMBL7102505 0.92 TMPRSS11D (0.44) TMPRSS11DCYP3A4MAPTCYP2C9TSHR
SCHEMBL7102489 0.92 TMPRSS11D (0.56) TMPRSS11DCYP3A4CYP2C9F2F10
SCHEMBL7102493 0.92 TMPRSS11D (0.56) TMPRSS11DCYP3A4CYP2C9F2F10
SCHEMBL7102494 0.91 TMPRSS11D (0.58) TMPRSS11DCYP3A4MAPTCYP2C9TSHR
SCHEMBL7102504 0.87 CYP3A4 (0.49) TMPRSS11DCYP3A4MAPTCYP2C9TSHR
SCHEMBL7102587 0.86 TMPRSS11D (0.50) TMPRSS11DF2F10PLG
SCHEMBL7102595 0.86 TMPRSS11D (0.50) TMPRSS11DF2F10PLG
SCHEMBL7102558 0.84 TMPRSS11D (0.52) TMPRSS11DF2F10PLG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0672658-B1 Antithrombotic agents ASTRAZENECA AB (SE) 2003-09-17 EP claimed