SCHEMBL6582565

SCHEMBL6582565

N=C(N)c1cccc(NC(=O)NC2(C3CCN(S(=O)(=O)c4ccccc4F)CC3)CCCCCC2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.44
EPHX2 P34913 2/20 0.43
F10 P00742 3/20 0.42
PRSS1 P07477 3/20 0.42
HPN P05981 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
HGFAC Q04756 1/20 0.42
ST14 Q9Y5Y6 1/20 0.42
F2 P00734 2/20 0.40
MAPT P10636 2/20 0.39
ALDH1A1 P00352 4/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2D6 P10635 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
TP53 P04637 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
LMNA P02545 1/20 0.38
MAPK1 P28482 1/20 0.38

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
SCHEMBL6582385 0.91 F10 (0.48) L3MBTL1EPHX2F10PRSS1HPN
SCHEMBL6588093 0.88 TP53 (0.51) L3MBTL1F10PRSS1HPNPRSS2
SCHEMBL6586541 0.87 POLB (0.43) EPHX2F10PRSS1HPNPRSS2
SCHEMBL6585305 0.85 MAPK1 (0.53) MAPTALDH1A1TSHRTP53SMN1; SMN2
SCHEMBL6584604 0.85 F10 (0.46) L3MBTL1F10PRSS1HPNPRSS2
SCHEMBL6582583 0.84 CNR1 (0.54) L3MBTL1F10PRSS1HPNPRSS2
SCHEMBL6588145 0.84 GAA (0.54) EPHX2F10PRSS1F2MAPT
SCHEMBL6586241 0.83 F10 (0.42) EPHX2F10PRSS1HPNPRSS2
SCHEMBL6582723 0.83 NPC1 (0.48) L3MBTL1MAPTALDH1A1TSHRTP53
SCHEMBL6590427 0.83 F10 (0.52) 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 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