SCHEMBL7102569

SCHEMBL7102569

CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)NCCc1cccc(C=NN)c1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 5/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
CYP2C9 P11712 1/20 0.44
TSHR P16473 1/20 0.44
RAB9A P51151 1/20 0.44
F2 P00734 4/20 0.43
PRSS1 P07477 3/20 0.43
PRSS2 P07478 3/20 0.43
PRSS3 P35030 3/20 0.43
F10 P00742 1/20 0.43
TMPRSS11D O60235 2/20 0.43
ATM Q13315 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
POLB P06746 1/20 0.42
TAAR1 Q96RJ0 1/20 0.41

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
SCHEMBL7105058 0.92 TMPRSS11D (0.48) CYP3A4CYP2C9F2PRSS1PRSS2
SCHEMBL7102504 0.92 CYP3A4 (0.49) FKBP1ASMN1; SMN2CYP3A4MAPTCYP2C9
SCHEMBL7106038 0.86 TMPRSS11D (0.53) CYP3A4CYP2C9F2PRSS1PRSS2
SCHEMBL7102496 0.85 TMPRSS11D (0.44) FKBP1ASMN1; SMN2CYP3A4MAPTCYP2C9
SCHEMBL7102505 0.85 TMPRSS11D (0.44) FKBP1ASMN1; SMN2CYP3A4MAPTCYP2C9
SCHEMBL7102558 0.85 TMPRSS11D (0.52) F2F10TMPRSS11D
Hydrochloric Acid SCHEMBL27584411 0.85 TMPRSS11D (0.52) CYP3A4CYP2C9F2PRSS1PRSS2
Hydrochloric Acid SCHEMBL7140908 0.85 TMPRSS11D (0.52) CYP3A4CYP2C9F2PRSS1PRSS2
SCHEMBL7154250 0.83 TMPRSS11D (0.47) FKBP1AF2PRSS1PRSS2PRSS3
SCHEMBL7104147 0.82 TMPRSS11D (0.48) FKBP1ACYP3A4MAPTCYP2C9TSHR

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