SCHEMBL7361146

SCHEMBL7361146

NN=CNc1ccc(CCCCN(CC(=O)O)c2cccc(C=NN)c2)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F2 P00734 8/20 0.40
PRSS1 P07477 8/20 0.40
PRSS2 P07478 8/20 0.40
PRSS3 P35030 8/20 0.40
F10 P00742 2/20 0.35
PLG P00747 2/20 0.35
PLAT P00750 2/20 0.35
F7 P08709 2/20 0.35
CA1 P00915 4/20 0.33
CA2 P00918 4/20 0.33
MMP3 P08254 1/20 0.32
KDM4A O75164 1/20 0.32
KDM5A P29375 1/20 0.32
KDM4C Q9H3R0 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
ALDH1A1 P00352 3/20 0.31
LMNA P02545 2/20 0.31
MAPT P10636 2/20 0.31
MEN1 O00255 1/20 0.31

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 SCHEMBL7361555 0.99 F2 (0.39) F2PRSS1PRSS2PRSS3F10
SCHEMBL7363933 0.93 F2 (0.36) F2PRSS1PRSS2PRSS3F10
SCHEMBL7363938 0.82 LPAR1 (0.32) CA1CA2MMP3ALDH1A1
Hydrochloric Acid SCHEMBL7463042 0.81 F2 (0.38) F2PRSS1PRSS2PRSS3CA1
SCHEMBL7363751 0.80 F2 (0.42) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7458550 0.80 F2 (0.41) F2PRSS1PRSS2PRSS3F10
Trifluoroacetic Acid SCHEMBL7450717 0.78 F2 (0.49) F2PRSS1PRSS2PRSS3F10
SCHEMBL7360778 0.75 SMN1; SMN2 (0.41) F2PRSS1PRSS2PRSS3CA1
SCHEMBL7367192 0.74 F10 (0.42) F2PRSS1F10CA1CA2
SCHEMBL7364865 0.73 SMN1; SMN2 (0.39) F2PRSS1PRSS2PRSS3CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0892780-B1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-20 EP claimed
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP claimed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO claimed
EP-0892780-B1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-11-20 EP disclosed
EP-0892780-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1999-01-27 EP disclosed
WO-1997030971-A1 M-AMIDINO PHENYL ANALOGS AS FACTOR Xa INHIBITORS THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1997-08-28 WO disclosed