SCHEMBL8166353

SCHEMBL8166353

CN(C)C(=N)c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2ccc3cc(Cl)ccc3c2)cc1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.79
ORAI1 Q96D31 1/20 0.52

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
SCHEMBL8158680 0.88 F10 (1.00) F10
SCHEMBL8166448 0.88 F10 (0.74) F10
SCHEMBL8170283 0.87 F10 (0.82) F10
SCHEMBL8158681 0.84 F10 (0.79) F10ORAI1
SCHEMBL8163775 0.83 F10 (0.79) F10ORAI1
SCHEMBL8163632 0.80 F10 (0.80) F10
SCHEMBL8165024 0.79 F10 (0.80) F10
SCHEMBL8166972 0.78 F10 (0.76) F10
SCHEMBL8158809 0.78 F10 (0.69) F10
SCHEMBL8169809 0.76 F10 (1.00) F10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed
US-20040116399-A1 Inhibitors of factor Xa MILLENNIUM PHARMACEUTICALS, INC. 2004-06-17 US disclosed