SCHEMBL6584669

SCHEMBL6584669

N=C(N)c1cccc(NC(=O)NC2(C3CCN(Cc4ccccc4)CC3)CCCCC2)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 6/20 0.68
PRSS1 P07477 4/20 0.68
HPN P05981 2/20 0.68
PRSS2 P07478 2/20 0.68
PRSS3 P35030 2/20 0.68
ST14 Q9Y5Y6 2/20 0.68
HGFAC Q04756 1/20 0.68
F2 P00734 4/20 0.47
DCUN1D1 Q96GG9 4/20 0.47
KMT2A Q03164 3/20 0.47
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.47
DRD2 P14416 1/20 0.46
DRD4 P21917 1/20 0.46
DRD3 P35462 1/20 0.46
CCR3 P51677 1/20 0.46
ACKR3 P25106 2/20 0.45
UBE2M P61081 2/20 0.45
MEN1 O00255 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL6582627 1.00 F10 (0.68) F10PRSS1HPNPRSS2PRSS3
SCHEMBL6585567 0.99 F10 (0.69) F10PRSS1HPNPRSS2PRSS3
SCHEMBL6585586 0.86 F10 (0.48) F10PRSS1HPNPRSS2PRSS3
SCHEMBL6590427 0.86 F10 (0.52) F10PRSS1HPNPRSS2PRSS3
SCHEMBL7248310 0.85 F10 (0.46) F10PRSS1HPNPRSS2PRSS3
SCHEMBL6588093 0.83 TP53 (0.51) F10PRSS1HPNPRSS2PRSS3
SCHEMBL6584416 0.83 CCR3 (0.62) DCUN1D1KMT2AALDH1A1POLBCCR3
SCHEMBL6583982 0.82 CCR3 (0.64) DCUN1D1KMT2AALDH1A1POLBCCR3
SCHEMBL6615128 0.81 F10 (0.44) F10PRSS1HPNPRSS2PRSS3
SCHEMBL6587317 0.80 F10 (0.43) 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