SCHEMBL4607756

SCHEMBL4607756

O=C(NCC1CCN(c2ccncc2)CC1)Oc1nccn1Cc1cc(-c2ccc(Cl)s2)on1

nearest known ligand 0.61

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.61
F2 P00734 3/20 0.53
PLAT P00750 1/20 0.41
KLK1 P06870 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41

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
SCHEMBL4605784 0.90 F10 (0.60) F10F2PLATKLK1
SCHEMBL4606004 0.87 F10 (0.59) F10F2KLK1
SCHEMBL4606330 0.82 F10 (0.58) F10F2KLK1
SCHEMBL15911366 0.81 F10 (0.78) F10F2PLATKLK1
SCHEMBL3837002 0.80 F10 (0.58) F10F2PLATKLK1CYP3A4
SCHEMBL3834004 0.80 F10 (0.58) F10F2PLATKLK1
SCHEMBL4607026 0.77 F10 (0.69) F10F2KLK1
SCHEMBL1675236 0.76 F10 (1.00) F10F2PLATKLK1
SCHEMBL6066443 0.74 F10 (0.62) F10
SCHEMBL1455873 0.74 F10 (0.64) F10F2PLATKLK1

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
EP-1569927-B1 IMIDAZOLE-DERIVATIVES AS FACTOR Xa INHIBITORS SANOFI AVENTIS DEUTSCHLAND (DE) 2008-07-16 EP claimed