SCHEMBL8166307

SCHEMBL8166307

Cc1cc(C(=O)Nc2ccc(C(=N)N3CCCCC3)cn2)n(-c2ccc3cc(Cl)ccc3c2)n1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.73
KCNH2 Q12809 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
SCHEMBL8170332 0.99 F10 (0.72) F10
SCHEMBL8163739 0.88 F10 (0.83) F10
SCHEMBL8165680 0.88 F10 (0.75) F10KCNH2
SCHEMBL8164947 0.87 F10 (0.83) F10KCNH2
SCHEMBL8169570 0.87 F10 (0.75) F10KCNH2
SCHEMBL8158570 0.84 F10 (0.71) F10
SCHEMBL8165155 0.84 F10 (1.00) F10
SCHEMBL8163275 0.83 F10 (1.00) F10
SCHEMBL8169106 0.82 F10 (0.53) F10KCNH2
SCHEMBL8169094 0.82 F10 (0.53) 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 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