SCHEMBL14132093

SCHEMBL14132093

CC(=N)N1CCC(Oc2ccc(C[C@@H](COc3cccc(C(=N)N)c3)NS(=O)(=O)c3ccccc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F10 P00742 20/20 0.56
▸ F2 P00734 4/20 0.48
▸ KCNH2 Q12809 1/20 0.47
▸ PLG P00747 2/20 0.45
▸ PLAU P00749 1/20 0.45
▸ ST14 Q9Y5Y6 1/20 0.45
▸ PLAT P00750 1/20 0.45
▸ PRSS1 P07477 1/20 0.45
▸ PRSS2 P07478 1/20 0.45
▸ PRSS3 P35030 1/20 0.45

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 SCHEMBL3896012 0.96 F10 (0.56) F10F2KCNH2PLGPLAU
SCHEMBL14132320 0.95 F10 (0.52) F10F2PLGPLAUST14
SCHEMBL14132072 0.94 F10 (0.57) F10F2KCNH2PLGPLAU
SCHEMBL14132091 0.93 F10 (0.54) F10F2KCNH2PLGPLAU
SCHEMBL14132241 0.92 F10 (0.57) F10F2KCNH2PLAUPRSS1
Trifluoroacetic Acid SCHEMBL3909865 0.92 F10 (0.51) F10F2PLGPLAUST14
SCHEMBL14132193 0.91 F10 (0.54) F10F2KCNH2PLAU
Trifluoroacetic Acid SCHEMBL3902709 0.91 F10 (0.56) F10F2KCNH2PLGPLAU
SCHEMBL14132076 0.90 F10 (0.52) F10F2KCNH2PLGPLAU
SCHEMBL14132324 0.90 F10 (0.55) F10F2KCNH2PLGPLAU

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-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
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