SCHEMBL7081749

SCHEMBL7081749

CCCC(Oc1ccc2ccc(N)nc2c1)C(=O)Nc1ccc(-c2ccccc2S(C)(=O)=O)cc1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
F10 P00742 13/20 0.42
PRSS1 P07477 5/20 0.42
F2 P00734 6/20 0.40
F9 P00740 1/20 0.38
PRSS2 P07478 3/20 0.38
PRSS3 P35030 3/20 0.38
PPARG P37231 2/20 0.38
PPARA Q07869 2/20 0.38
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
LMNA P02545 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
SCHEMBL7076322 0.85 F10 (0.51) F10PRSS1F2PRSS2PRSS3
SCHEMBL7080765 0.81 PPARG (0.42) F10PRSS1F2F9PRSS2
SCHEMBL7079506 0.80 F10 (0.50) F10PRSS1F2PRSS2PRSS3
SCHEMBL7007614 0.80 F10 (0.65) F10PRSS1F2PRSS2PRSS3
SCHEMBL7006420 0.80 F10 (0.65) F10PRSS1F2PRSS2PRSS3
SCHEMBL7082839 0.78 F10 (0.53) F10PRSS1F2PRSS2PRSS3
SCHEMBL7002197 0.78 F10 (0.47) F10PRSS1F2PRSS2PRSS3
SCHEMBL6424055 0.78 F10 (0.53) F10PRSS1F2PRSS2PRSS3
SCHEMBL6422067 0.78 F10 (0.53) F10PRSS1F2PRSS2PRSS3
SCHEMBL6298107 0.78 F10 (0.53) F10PRSS1F2PRSS2PRSS3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1322618-A1 AMINO HETEROCYCLIC COMPOUNDS (FACTOR X A? INHIBITORS 14) MERCK PATENT GmbH (DE) 2003-07-02 EP claimed
WO-2002024654-A1 AMINO HETEROCYCLIC COMPOUNDS (FACTOR XA INHIBITORS 14) MERCK PATENT GMBH (DE) 2002-03-28 WO claimed
EP-1322618-A1 AMINO HETEROCYCLIC COMPOUNDS (FACTOR X A? INHIBITORS 14) MERCK PATENT GmbH (DE) 2003-07-02 EP disclosed
WO-2002024654-A1 AMINO HETEROCYCLIC COMPOUNDS (FACTOR XA INHIBITORS 14) MERCK PATENT GMBH (DE) 2002-03-28 WO disclosed