SCHEMBL14404273

SCHEMBL14404273

CN1CCN(C(=N)c2ccc(C(=O)Nc3ccccc3C(=O)Nc3ccc(CI)cn3)c(F)c2)CC1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.62
KCNH2 Q12809 3/20 0.44
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42

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
SCHEMBL14629783 0.92 F10 (0.61) F10KCNH2
SCHEMBL14404612 0.91 F10 (0.51) F10KCNH2ITGB3ITGA2B
SCHEMBL14404274 0.91 F10 (0.62) F10KCNH2
SCHEMBL14629908 0.90 F10 (0.62) F10KCNH2
SCHEMBL13348725 0.88 F10 (0.66) F10KCNH2
SCHEMBL14629924 0.88 F10 (0.51) F10KCNH2
SCHEMBL10146283 0.88 F10 (0.81) F10KCNH2
SCHEMBL14404271 0.84 F10 (0.49) F10KCNH2
SCHEMBL14404606 0.84 F10 (0.56) F10KCNH2
SCHEMBL14404762 0.84 F10 (0.55) F10KCNH2

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
US-7285565-B2 Benzamides and related inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. (US) 2007-10-23 US disclosed