SCHEMBL3897206

SCHEMBL3897206

CC(=N)N1CCC(Oc2ccc(C[C@@H](CCc3cccc(C(=N)N)c3)NS(=O)(=O)c3ccccc3)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
F10 P00742 17/20 0.52
ST14 Q9Y5Y6 2/20 0.48
HPN P05981 1/20 0.48
HGFAC Q04756 1/20 0.48
F2 P00734 4/20 0.48
PLG P00747 3/20 0.48
KCNH2 Q12809 1/20 0.47
PLAU P00749 2/20 0.47
PLAT P00750 1/20 0.47
PRSS1 P07477 1/20 0.47
PRSS2 P07478 1/20 0.47
PRSS3 P35030 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
Trifluoroacetic Acid SCHEMBL5096319 0.96 F10 (0.49) F10ST14HPNHGFACF2
SCHEMBL14132093 0.88 F10 (0.56) F10ST14F2PLGKCNH2
SCHEMBL14132244 0.88 F10 (0.47) F10ST14HPNHGFACF2
SCHEMBL14132320 0.85 F10 (0.52) F10ST14HPNHGFACF2
Trifluoroacetic Acid SCHEMBL3896012 0.84 F10 (0.56) F10ST14F2PLGKCNH2
Trifluoroacetic Acid SCHEMBL3894631 0.84 F2 (0.48) F10ST14F2PLGPLAU
SCHEMBL14132314 0.83 F10 (0.54) F10ST14HPNHGFACF2
SCHEMBL14132072 0.82 F10 (0.57) F10ST14F2PLGKCNH2
SCHEMBL14132316 0.82 F10 (0.58) F10F2KCNH2
Trifluoroacetic Acid SCHEMBL3909865 0.82 F10 (0.51) F10ST14F2PLGPLAU

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0976722-B1 BENZAMIDINE DERIVATIVES AJINOMOTO KK (JP) 2009-03-11 EP disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed
US-7396844-B1 Benzamidine derivatives AJINOMOTO CO., INC. (JP) 2008-07-08 US disclosed