SCHEMBL7739787

SCHEMBL7739787

Cc1ccc(NS(=O)(=O)Cc2ccc(Cl)cc2)c(=O)n1CCCNc1ccncc1F

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F2 P00734 18/20 0.45
PRSS1 P07477 9/20 0.45
PRSS2 P07478 3/20 0.41
PRSS3 P35030 3/20 0.41
PTGS1 P23219 2/20 0.38
PTGS2 P35354 2/20 0.38
F10 P00742 1/20 0.38

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
SCHEMBL6848994 0.79 F2 (0.55) F2PRSS1PRSS2PRSS3F10
SCHEMBL7737238 0.79 F2 (0.53) F2PRSS1PRSS2PRSS3
SCHEMBL6849007 0.78 F2 (0.52) F2PRSS1PRSS2PRSS3F10
SCHEMBL8362786 0.73 F2 (0.52) F2PRSS1PRSS2PRSS3
SCHEMBL8364629 0.73 F2 (0.56) F2PRSS1PRSS2PRSS3F10
SCHEMBL7737354 0.71 F2 (0.54) F2PRSS1PRSS2PRSS3F10
SCHEMBL8362735 0.71 F2 (0.48) F2PRSS1PRSS2PRSS3
SCHEMBL8362741 0.69 F2 (0.47) F2PRSS1PRSS2PRSS3
SCHEMBL6846379 0.68 F2 (0.65) F2PRSS1PRSS2PRSS3F10
SCHEMBL6850170 0.67 F2 (0.61) F2PRSS1PRSS2PRSS3F10

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6777431-B2 ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2004-08-17 US disclosed
US-6777431-B2 ANTICOAGULANTS CORVAS INTERNATIONAL, INC. 2004-08-17 US disclosed