SCHEMBL7102504

SCHEMBL7102504

CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCCc1ccc(C=NN)cc1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.49
MAPT P10636 1/20 0.49
CYP2C9 P11712 1/20 0.49
TSHR P16473 1/20 0.49
RAB9A P51151 1/20 0.49
FKBP1A P62942 8/20 0.47
POLB P06746 1/20 0.47
TMPRSS11D O60235 5/20 0.45
ATM Q13315 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.43
F2 P00734 1/20 0.43
F10 P00742 1/20 0.43
PLG P00747 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
SCHEMBL7102569 0.92 FKBP1A (0.46) CYP3A4MAPTCYP2C9TSHRRAB9A
SCHEMBL7106038 0.92 TMPRSS11D (0.53) CYP3A4CYP2C9TMPRSS11DF2F10
Hydrochloric Acid SCHEMBL27584411 0.91 TMPRSS11D (0.52) CYP3A4CYP2C9TMPRSS11DF2F10
Hydrochloric Acid SCHEMBL7140908 0.91 TMPRSS11D (0.52) CYP3A4CYP2C9TMPRSS11DF2F10
SCHEMBL7104147 0.87 TMPRSS11D (0.48) CYP3A4MAPTCYP2C9TSHRRAB9A
SCHEMBL7104150 0.87 TMPRSS11D (0.48) CYP3A4MAPTCYP2C9TSHRRAB9A
SCHEMBL7102494 0.86 TMPRSS11D (0.58) CYP3A4MAPTCYP2C9TSHRRAB9A
SCHEMBL7105058 0.86 TMPRSS11D (0.48) CYP3A4CYP2C9TMPRSS11DF2F10
SCHEMBL7154250 0.85 TMPRSS11D (0.47) FKBP1ATMPRSS11DF2F10PLG
SCHEMBL7363339 0.83 TMPRSS11D (0.49) CYP3A4CYP2C9TMPRSS11DF2F10

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