SCHEMBL6921716

SCHEMBL6921716

N#Cc1ccc(CN(NC(=O)CNS(=O)(=O)c2cccc3ccccc23)C(=O)N2CCCCCC2)cc1

nearest known ligand 0.47

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PREP P48147 1/20 0.47
F2 P00734 9/20 0.43
PRSS1 P07477 6/20 0.43
F10 P00742 4/20 0.43
SLC6A9 P48067 3/20 0.42
RAB9A P51151 1/20 0.41
NSD2 O96028 1/20 0.39
P2RX7 Q99572 3/20 0.39

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
Hydrochloric Acid SCHEMBL6823146 0.86 F2 (0.44) PREPF2PRSS1F10SLC6A9
SCHEMBL6823950 0.71 DPP4 (0.45) F2PRSS1
Hydrochloric Acid SCHEMBL6823485 0.67 DPP4 (0.47)
Hydrochloric Acid SCHEMBL6823840 0.67 F2 (0.49) F2PRSS1F10
SCHEMBL5116905 0.67 DPP7 (0.49) F2PRSS1F10
SCHEMBL5114785 0.67 F2 (0.71) F2PRSS1F10
SCHEMBL5111851 0.66 PTGES (0.46) F2PRSS1F10
Hydrochloric Acid SCHEMBL6825808 0.66 F2 (0.56) F2PRSS1F10
SCHEMBL6823145 0.65 F2 (0.45) F2PRSS1F10
SCHEMBL6823609 0.64 F2 (0.53) F2PRSS1F10NSD2

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
WO-2004067522-A1 AZAPHENYLALANINE DERIVATIVES AND THEIR USE AS ANTITHROMBOTIC AGENTS LEK PHARMACEUTICALS D.D. (SI) 2004-08-12 WO disclosed