SCHEMBL7102491

SCHEMBL7102491

CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC(=O)[C@@H]1CCCN1Cc1ccc(C(N)=NO)cc1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F2 P00734 3/20 0.42
NPSR1 Q6W5P4 1/20 0.41
SPHK1 Q9NYA1 1/20 0.39
TMPRSS11D O60235 2/20 0.39
CCR4 P51679 1/20 0.39
ACE P12821 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC2 Q92769 2/20 0.38
HDAC3 O15379 1/20 0.38
CAPN1 P07384 2/20 0.38
CNR2 P34972 1/20 0.37

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
SCHEMBL7104148 0.92 ALDH1A1 (0.45) F2TMPRSS11DACECAPN1
SCHEMBL7102590 0.92 ST14 (0.40) F2NPSR1SPHK1CCR4ACE
SCHEMBL7106036 0.90 F2 (0.53) F2NPSR1TMPRSS11D
Hydrochloric Acid SCHEMBL7140906 0.89 F2 (0.54) F2TMPRSS11D
SCHEMBL7102499 0.87 ALDH1A1 (0.42) F2ACECAPN1
SCHEMBL7105056 0.84 F2 (0.46) F2
SCHEMBL7102500 0.82 F2 (0.51) F2TMPRSS11D
SCHEMBL7463647 0.82 F2 (0.42) F2NPSR1TMPRSS11DCCR4
SCHEMBL7363337 0.82 CCR4 (0.39) F2NPSR1CCR4ACE
Hydrochloric Acid SCHEMBL7156977 0.81 F2 (0.43) F2NPSR1TMPRSS11DCCR4

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