SCHEMBL6586241

SCHEMBL6586241

CC(C)S(=O)(=O)N1CCC(C2(NC(=O)Nc3cccc(C(=N)N)c3)CCCCCC2)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F10 P00742 8/20 0.42
ST14 Q9Y5Y6 8/20 0.42
HPN P05981 1/20 0.42
PRSS1 P07477 1/20 0.42
PRSS2 P07478 1/20 0.42
PRSS3 P35030 1/20 0.42
HGFAC Q04756 1/20 0.42
HTR1A P08908 1/20 0.40
EPHX2 P34913 3/20 0.39
F2 P00734 5/20 0.39
PLG P00747 5/20 0.39
PLAU P00749 5/20 0.39
SMN1; SMN2 Q16637 1/20 0.38
TMPRSS6 Q8IU80 2/20 0.38
PKM P14618 1/20 0.37
ALOX15 P16050 1/20 0.37
FKBP1A P62942 1/20 0.37
CCKBR P32239 1/20 0.37

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
SCHEMBL7540321 0.91 F10 (0.43) F10ST14HPNPRSS1PRSS2
SCHEMBL6588093 0.86 TP53 (0.51) F10ST14HPNPRSS1PRSS2
SCHEMBL6615251 0.85 ST14 (0.40) F10ST14HPNPRSS1PRSS2
SCHEMBL6584604 0.84 F10 (0.46) F10ST14HPNPRSS1PRSS2
SCHEMBL7248310 0.84 F10 (0.46) F10ST14HPNPRSS1PRSS2
SCHEMBL6582723 0.84 NPC1 (0.48) SMN1; SMN2ALOX15
SCHEMBL6582385 0.84 F10 (0.48) F10ST14HPNPRSS1PRSS2
SCHEMBL6582583 0.84 CNR1 (0.54) F10ST14HPNPRSS1PRSS2
SCHEMBL6590427 0.84 F10 (0.52) F10ST14HPNPRSS1PRSS2
SCHEMBL6588145 0.83 GAA (0.54) F10PRSS1EPHX2F2PKM

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 4 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
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