SCHEMBL6459173

SCHEMBL6459173

CN(C)Cc1nccn1-c1ccc(NC(=O)CC(N)=O)c(F)c1

nearest known ligand 0.55

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.55
F2 P00734 4/20 0.51
F9 P00740 2/20 0.51
CTRB1 P17538 2/20 0.51
F5 P12259 1/20 0.51
PROC P04070 1/20 0.51
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
TP53 P04637 1/20 0.40
ALDH1A1 P00352 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL6459181 0.89 F10 (0.55) F10F2F9CTRB1F5
SCHEMBL7371791 0.81 F10 (0.49) F10F2F9CTRB1F5
SCHEMBL4654833 0.81 F10 (0.57) F10F2F9CTRB1F5
SCHEMBL4626215 0.80 F10 (0.56) F10F2F9CTRB1F5
SCHEMBL6461799 0.78 LMNA (0.40) F10MEN1KMT2ATP53ALDH1A1
SCHEMBL1028976 0.77 F10 (0.45) F10F2F9CTRB1F5
SCHEMBL8286933 0.77 F10 (0.52) F10F2F9CTRB1F5
SCHEMBL3538971 0.76 F10 (0.52) F10F2F9CTRB1F5
SCHEMBL8267982 0.75 F10 (0.48) F10F2F9CTRB1F5
SCHEMBL8262173 0.74 F10 (0.47) F10F2F9CTRB1F5

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
EP-1571154-A1 Beta-aminoacid-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP claimed
EP-1571154-A1 Beta-aminoacid-derivatives as factor Xa inhibitors Aventis Pharma Deutschland GmbH (DE) 2005-09-07 EP disclosed