SCHEMBL7102590

SCHEMBL7102590

CCS(=O)(=O)N[C@H](Cc1ccccc1)C(=O)NC(=O)[C@@H]1CCCN1Cc1cccc(C(N)=NO)c1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ST14 Q9Y5Y6 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PLAU P00749 1/20 0.40
F2 P00734 4/20 0.40
ACE P12821 4/20 0.39
SPHK1 Q9NYA1 1/20 0.38
CCR4 P51679 1/20 0.38
F10 P00742 1/20 0.37
PRSS1 P07477 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.37
HSD11B1 P28845 1/20 0.37
ACE2 Q9BYF1 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
SCHEMBL7102499 0.93 ALDH1A1 (0.42) ST14PLAUF2ACEF10
SCHEMBL7102491 0.92 F2 (0.42) NPSR1F2ACESPHK1CCR4
SCHEMBL7105056 0.91 F2 (0.46) ST14PLAUF2F10
SCHEMBL7104148 0.88 ALDH1A1 (0.45) ST14PLAUF2ACE
SCHEMBL7106036 0.84 F2 (0.53) NPSR1F2F10
SCHEMBL7102567 0.83 F2 (0.45) ST14PLAUF2F10
Hydrochloric Acid SCHEMBL7140906 0.83 F2 (0.54) F2F10
SCHEMBL7463647 0.82 F2 (0.42) NPSR1PLAUF2CCR4
SCHEMBL7363337 0.82 CCR4 (0.39) NPSR1F2ACECCR4MEN1
Hydrochloric Acid SCHEMBL7156977 0.81 F2 (0.43) NPSR1F2CCR4

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