SCHEMBL6960652

SCHEMBL6960652

CCOC(=O)C(C(C)C)S(=O)(=O)N(Cc1ccc2ccc(C(=N)N)cc2c1)c1ccc(OC2CCN(C(C)=N)CC2)cc1

nearest known ligand 0.76

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.76
KCNH2 Q12809 1/20 0.73
F2 P00734 4/20 0.72
PRSS1 P07477 2/20 0.56
PLG P00747 1/20 0.52
PLAT P00750 1/20 0.52
PRSS2 P07478 1/20 0.52
PRSS3 P35030 1/20 0.52

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
Hydrochloric Acid SCHEMBL6955555 0.92 F10 (0.77) F10KCNH2F2PRSS1PLG
SCHEMBL6959637 0.92 F10 (0.77) F10KCNH2F2PRSS1PLG
Hydrochloric Acid SCHEMBL6956630 0.90 F10 (0.76) F10KCNH2F2PRSS1PLG
Hydrochloric Acid SCHEMBL8800430 0.89 F10 (0.74) F10KCNH2F2PRSS1PLG
Hydrochloric Acid SCHEMBL6955434 0.88 F10 (0.82) F10KCNH2F2PRSS1PLG
SCHEMBL6954906 0.88 F10 (0.72) F10KCNH2F2PRSS1PLG
Hydrochloric Acid SCHEMBL6951353 0.87 F10 (0.78) F10KCNH2F2PRSS1PLG
SCHEMBL6960767 0.86 F10 (0.77) F10KCNH2F2PRSS1PLG
SCHEMBL7198338 0.86 F10 (0.78) F10KCNH2F2PRSS1
Hydrochloric Acid SCHEMBL8800542 0.86 F10 (0.99) F10KCNH2F2PRSS1PLG

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-0798295-B1 NOVEL AMIDINONAPHTHYL DERIVATIVE OR SALT THEREOF YAMANOUCHI PHARMA CO LTD (JP) 2003-02-26 EP disclosed
EP-0798295-A1 NOVEL AMIDINONAPHTHYL DERIVATIVE OR SALT THEREOF YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1997-10-01 EP disclosed