SCHEMBL6990571

SCHEMBL6990571

CCN(CC)Cc1c(-c2ccccc2)ccc(N2CCCC(N(Cc3ccccc3)S(=O)(=O)c3ccc(Cl)s3)C2=O)c1F

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.40
LMNA P02545 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PSEN1 P49768 2/20 0.34
PSEN2 P49810 2/20 0.34
APH1B Q8WW43 2/20 0.34
NCSTN Q92542 2/20 0.34
APH1A Q96BI3 2/20 0.34
PSENEN Q9NZ42 2/20 0.34

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
SCHEMBL6987538 0.86 F10 (0.38) F10LMNATDP1
SCHEMBL6984239 0.85 F10 (0.37) F10LMNA
SCHEMBL4683893 0.84 F10 (0.51) F10
SCHEMBL6991426 0.83 F10 (0.59) F10
SCHEMBL4680990 0.74 F10 (0.48) F10
SCHEMBL4679316 0.73 F10 (0.47) F10
SCHEMBL6991402 0.68 F10 (0.56) F10
SCHEMBL6986018 0.67 F10 (0.68) F10
SCHEMBL6988761 0.67 F10 (0.55) F10PSEN1PSEN2APH1BNCSTN
SCHEMBL6983760 0.66 F10 (0.50) F10PSEN1PSEN2APH1BNCSTN

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-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP claimed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO claimed
EP-1337251-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS Bristol-Myers Squibb Pharma Company (US) 2003-08-27 EP disclosed
WO-2002102380-A1 MONOCYCLIC OR BICYCLIC CARBOCYCLES AND HETEROCYCLES AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-12-27 WO disclosed