SCHEMBL6961816

SCHEMBL6961816

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

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
F10 P00742 20/20 0.71
KCNH2 Q12809 1/20 0.69
F2 P00734 10/20 0.67
PRSS1 P07477 7/20 0.61
PLG P00747 2/20 0.55
PRSS2 P07478 2/20 0.55
PRSS3 P35030 2/20 0.55
PLAT P00750 1/20 0.55

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 SCHEMBL6954511 0.99 F10 (0.70) F10KCNH2F2PRSS1PLG
Hydrochloric Acid SCHEMBL6956700 0.91 F10 (0.72) F10KCNH2F2PRSS1PLG
SCHEMBL13703904 0.90 F10 (0.73) F10KCNH2F2PRSS1PLG
Hydrochloric Acid SCHEMBL6957911 0.90 F10 (0.72) F10KCNH2F2PRSS1PLG
Hydrochloric Acid SCHEMBL6952037 0.90 F10 (0.72) F10KCNH2F2PRSS1PLG
Hydrochloric Acid SCHEMBL6960282 0.90 F10 (0.71) F10KCNH2F2PRSS1PLG
Hydrochloric Acid SCHEMBL6960585 0.89 F10 (0.74) F10KCNH2F2PRSS1PLG
Hydrochloric Acid SCHEMBL6954228 0.89 F10 (0.70) F10KCNH2F2PRSS1PLG
Hydrochloric Acid SCHEMBL6955500 0.89 F10 (0.75) F10KCNH2F2PRSS1PLG
SCHEMBL6951067 0.88 F10 (0.60) F10KCNH2F2PRSS1

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