SCHEMBL6584538

SCHEMBL6584538

Cc1nc(S(=O)(=O)N2CCC(C3(NC(=O)Nc4cccc(C(=N)N)c4)CCCCCC3)CC2)sc1N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 2/20 0.37
PRSS1 P07477 2/20 0.37
HPN P05981 1/20 0.37
PRSS2 P07478 1/20 0.37
PRSS3 P35030 1/20 0.37
HGFAC Q04756 1/20 0.37
ST14 Q9Y5Y6 1/20 0.37
MAPK1 P28482 2/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 5/20 0.36
RXFP1 Q9HBX9 1/20 0.36
CNR1 P21554 1/20 0.36
KMT2A Q03164 5/20 0.36
MEN1 O00255 4/20 0.36
TP53 P04637 2/20 0.35
GAA P10253 1/20 0.35
F2 P00734 1/20 0.35
PDE7A Q13946 1/20 0.35
HTT P42858 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35

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
SCHEMBL6582948 0.91 MAPK1 (0.37) F10PRSS1HPNPRSS2PRSS3
SCHEMBL6584604 0.83 F10 (0.46) F10PRSS1HPNPRSS2PRSS3
SCHEMBL6588093 0.82 TP53 (0.51) F10PRSS1HPNPRSS2PRSS3
SCHEMBL6582583 0.82 CNR1 (0.54) F10PRSS1HPNPRSS2PRSS3
SCHEMBL6582385 0.82 F10 (0.48) F10PRSS1HPNPRSS2PRSS3
SCHEMBL6588275 0.82 CHRM5 (0.41) F10PRSS1HPNPRSS2PRSS3
SCHEMBL6588145 0.81 GAA (0.54) F10PRSS1MAPK1MAPTRXFP1
SCHEMBL6586691 0.81 MAPT (0.39) F10PRSS1HPNPRSS2PRSS3
SCHEMBL6586241 0.81 F10 (0.42) F10PRSS1HPNPRSS2PRSS3
SCHEMBL6582723 0.81 NPC1 (0.48) MAPTKMT2AMEN1TP53HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0960104-B1 N-(AMIDINOPHENYL)-N'-(SUBST.)-3H-2,4-BENZODIAZEPIN-3-ONE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-06-16 EP claimed
US-6521614-B1 Anticoagulant agents for treatment and prevention of thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-18 US claimed
EP-0960104-B1 N-(AMIDINOPHENYL)-N'-(SUBST.)-3H-2,4-BENZODIAZEPIN-3-ONE DERIVATIVES AS FACTOR XA INHIBITORS BRISTOL MYERS SQUIBB PHARMA CO (US) 2004-06-16 EP disclosed
US-6521614-B1 Anticoagulant agents for treatment and prevention of thromboembolic disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2003-02-18 US disclosed
US-5925635-A 2-(OXO-1,3-PERHYDRODIAZEPINES OR 3-OXO-2,3,4,5-TETRAHYDRO-1H-2,4-BENZODIAZEPINES; ANTICOAGULANTS; ENZYME INHIBITORS OF SERINE PROTEASE THROMBIN, KALLIKREIN AND PLASMIN; NERVOUS SYSTEM DISORDERS; ANTIINFLAMMATORY AGENTS DUPONT PHARMACEUTICALS COMPANY (US) 1999-07-20 US disclosed