SCHEMBL8345112

SCHEMBL8345112

COC1=NCCCN1c1ccc(N2CCc3c(C#N)nn(-c4ccc(O)cc4)c3C2=O)cc1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.58
F2 P00734 4/20 0.49
SLC29A1 Q99808 1/20 0.45
PDE4A P27815 1/20 0.43
PDE4B Q07343 1/20 0.43
PDE4C Q08493 1/20 0.43
PDE4D Q08499 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
SCHEMBL4593327 0.92 F10 (0.69) F10F2SLC29A1PDE4APDE4B
SCHEMBL4593658 0.83 F10 (0.69) F10F2SLC29A1PDE4APDE4B
SCHEMBL4593751 0.83 F10 (0.69) F10F2SLC29A1PDE4APDE4B
SCHEMBL4593322 0.79 F10 (0.62) F10F2SLC29A1
SCHEMBL4593964 0.78 F10 (0.64) F10F2PDE4APDE4BPDE4C
SCHEMBL4594060 0.78 F10 (0.63) F10F2SLC29A1PDE4APDE4B
SCHEMBL2003292 0.77 F10 (0.70) F10F2SLC29A1PDE4APDE4B
SCHEMBL4586496 0.74 F10 (0.70) F10F2PDE4APDE4BPDE4C
SCHEMBL4594024 0.74 F10 (0.64) F10F2SLC29A1PDE4APDE4B
SCHEMBL5641092 0.73 F10 (1.00) F10F2

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004083174-A2 SULFONYL-AMIDINO CONTAINING AND TETRAHYDROPYRIMIDINO CONTAINING COMPOUNDS AS FACTOR XA INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-09-30 WO disclosed