SCHEMBL6588093

SCHEMBL6588093

N=C(N)c1cccc(NC(=O)NC2(C3CCN(S(=O)(=O)c4ccccc4)CC3)CCCCCC2)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.51
GAA P10253 2/20 0.47
USP2 O75604 2/20 0.47
F10 P00742 2/20 0.46
PRSS1 P07477 2/20 0.46
HPN P05981 1/20 0.46
PRSS2 P07478 1/20 0.46
PRSS3 P35030 1/20 0.46
HGFAC Q04756 1/20 0.46
ST14 Q9Y5Y6 1/20 0.46
NPC1 O15118 1/20 0.46
RAB9A P51151 1/20 0.46
ALDH1A1 P00352 5/20 0.46
L3MBTL1 Q9Y468 2/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
F2 P00734 1/20 0.45
CNR1 P21554 1/20 0.45
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
HTT P42858 2/20 0.44

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
SCHEMBL6584604 0.93 F10 (0.46) TP53GAAUSP2F10PRSS1
SCHEMBL6582583 0.92 CNR1 (0.54) TP53GAAF10PRSS1HPN
SCHEMBL6582723 0.91 NPC1 (0.48) TP53NPC1ALDH1A1L3MBTL1SMN1; SMN2
SCHEMBL6582385 0.89 F10 (0.48) TP53GAAF10PRSS1HPN
SCHEMBL6582565 0.88 L3MBTL1 (0.44) TP53F10PRSS1HPNPRSS2
SCHEMBL6590427 0.87 F10 (0.52) GAAF10PRSS1HPNPRSS2
SCHEMBL6588145 0.86 GAA (0.54) TP53GAAF10PRSS1NPC1
SCHEMBL6586241 0.86 F10 (0.42) F10PRSS1HPNPRSS2PRSS3
SCHEMBL7540321 0.86 F10 (0.43) TP53GAAUSP2F10PRSS1
SCHEMBL6585586 0.85 F10 (0.48) TP53F10PRSS1HPNPRSS2

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 7 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
EP-0960104-A1 N-(AMIDINOPHENYL)-N'-(SUBST.)-3H-2,4-BENZODIAZEPIN-3-ONE DERIVATIVES AS FACTOR XA INHIBITORS Du Pont Pharmaceuticals Company (US) 1999-12-01 EP 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
WO-1997038984-A1 N-(AMIDINOPHENYL)-N'-(SUBST.)-3H-2,4-BENZODIAZEPIN-3-ONE DERIVATIVES AS FACTOR XA INHIBITORS DU PONT PHARMACEUTICALS COMPANY (US) 1997-10-23 WO disclosed