SCHEMBL8158231

SCHEMBL8158231

N=C(c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cc3ccccc3cc2F)cc1)N1CCCCC1

nearest known ligand 0.81

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.81
KCNH2 Q12809 1/20 0.60

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
SCHEMBL8166112 0.99 F10 (0.81) F10KCNH2
SCHEMBL8166139 0.90 F10 (1.00) F10
SCHEMBL8165515 0.89 F10 (1.00) F10
SCHEMBL8166154 0.88 F10 (0.77) F10KCNH2
SCHEMBL8156491 0.88 F10 (0.81) F10KCNH2
SCHEMBL8158250 0.87 F10 (0.76) F10KCNH2
SCHEMBL8168684 0.86 F10 (0.80) F10KCNH2
SCHEMBL8158796 0.85 F10 (0.80) F10KCNH2
SCHEMBL8163632 0.83 F10 (0.80) F10
SCHEMBL8163775 0.81 F10 (0.79) 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