SCHEMBL8166154

SCHEMBL8166154

N=C(c1ccc(NC(=O)c2cc(C(F)(F)F)nn2-c2cc3ccccc3cc2F)nc1)N1CCCCC1

nearest known ligand 0.77

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
F10 P00742 18/20 0.77
KCNH2 Q12809 1/20 0.49
F2 P00734 1/20 0.44
PRSS1 P07477 1/20 0.44
PRSS2 P07478 1/20 0.44
PRSS3 P35030 1/20 0.44

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
SCHEMBL8158250 0.99 F10 (0.76) F10KCNH2F2PRSS1PRSS2
SCHEMBL8164880 0.88 F10 (0.76) F10KCNH2
SCHEMBL8158231 0.88 F10 (0.81) F10KCNH2
SCHEMBL8170222 0.87 F10 (0.75) F10KCNH2
SCHEMBL8166112 0.87 F10 (0.81) F10KCNH2
SCHEMBL8166139 0.87 F10 (1.00) F10
SCHEMBL8165515 0.86 F10 (1.00) F10
SCHEMBL8169288 0.84 F10 (0.75) F10
SCHEMBL8165680 0.82 F10 (0.75) F10KCNH2F2PRSS1PRSS2
SCHEMBL8169570 0.81 F10 (0.75) F10KCNH2F2PRSS1PRSS2

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