SCHEMBL10140917

SCHEMBL10140917

Cn1nc(-c2ccc(N3CCCCC3=O)cc2)c(O)c1-c1nc2cc(C(=N)N)ccc2[nH]1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
F10 P00742 14/20 0.41
F9 P00740 3/20 0.41
F11 P03951 3/20 0.41
F2 P00734 6/20 0.37
PRSS1 P07477 5/20 0.37
F7 P08709 3/20 0.36
TNIK Q9UKE5 1/20 0.36
PLG P00747 4/20 0.36
PLAU P00749 4/20 0.36
PLAT P00750 3/20 0.36

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
SCHEMBL10140058 0.93 F10 (0.49) F10F9F11F2PRSS1
SCHEMBL10173105 0.84 HTR1A (0.41) F10TNIK
SCHEMBL10140918 0.84 F10 (0.37) F10PRSS1TNIK
SCHEMBL10140047 0.82 F10 (0.40) F10PRSS1TNIK
SCHEMBL7982567 0.82 F10 (0.58) F10F9F11F2PRSS1
SCHEMBL7966289 0.82 F10 (0.39) F10PRSS1TNIK
SCHEMBL10140061 0.81 F10 (0.48) F10F9F11F2PRSS1
SCHEMBL10140114 0.81 F10 (0.47) F10F9F11F2PRSS1
SCHEMBL10140728 0.81 F10 (0.53) F10F9F11F2PRSS1
SCHEMBL10139884 0.81 F10 (0.48) F10F9F11F2PRSS1

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-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed