SCHEMBL14032829

SCHEMBL14032829

N=C(N)N1CCC(CNC(=O)c2cc(O)c(Br)c(OCCc3cccnc3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
F10 P00742 19/20 0.49
CACNA1I Q9P0X4 1/20 0.47

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
SCHEMBL14622012 0.91 F10 (0.49) F10CACNA1I
SCHEMBL14032507 0.91 F10 (0.52) F10CACNA1I
SCHEMBL14621458 0.83 CACNA1I (0.47) F10CACNA1I
SCHEMBL5086207 0.80 F10 (0.75) F10
SCHEMBL14621565 0.80 F10 (0.69) F10
SCHEMBL14032741 0.75 F10 (0.50) F10CACNA1I
SCHEMBL5089014 0.71 F10 (0.80) F10
SCHEMBL14621267 0.67 F10 (0.46) F10CACNA1I
SCHEMBL6066447 0.66 F10 (0.85) F10
SCHEMBL5088115 0.66 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-7435747-B2 Guanidine and amidine derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-14 US disclosed
US-7435747-B2 Guanidine and amidine derivatives as factor Xa inhibitors SANOFI-AVENTIS DEUTSCHLAND GMBH (DE) 2008-10-14 US disclosed