SCHEMBL6585586

SCHEMBL6585586

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

nearest known ligand 0.48

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.48
PRSS1 P07477 5/20 0.48
HPN P05981 1/20 0.48
PRSS2 P07478 1/20 0.48
PRSS3 P35030 1/20 0.48
HGFAC Q04756 1/20 0.48
ST14 Q9Y5Y6 1/20 0.48
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
EPHX2 P34913 5/20 0.43
SMN1; SMN2 Q16637 1/20 0.42
F2 P00734 1/20 0.42
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL7248310 0.91 F10 (0.46) F10PRSS1HPNPRSS2PRSS3
SCHEMBL7252409 0.88 MGLL (0.46) ALDH1A1TP53HPGDHTTEPHX2
SCHEMBL6584669 0.86 F10 (0.68) F10PRSS1HPNPRSS2PRSS3
SCHEMBL6582627 0.86 F10 (0.68) F10PRSS1HPNPRSS2PRSS3
SCHEMBL6588093 0.85 TP53 (0.51) F10PRSS1HPNPRSS2PRSS3
SCHEMBL6585567 0.85 F10 (0.69) F10PRSS1HPNPRSS2PRSS3
SCHEMBL6590427 0.83 F10 (0.52) F10PRSS1HPNPRSS2PRSS3
SCHEMBL6615128 0.83 F10 (0.44) F10PRSS1HPNPRSS2PRSS3
SCHEMBL7540321 0.82 F10 (0.43) F10PRSS1HPNPRSS2PRSS3
SCHEMBL6586241 0.82 F10 (0.42) F10PRSS1HPNPRSS2PRSS3

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 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