SCHEMBL7812043

SCHEMBL7812043

CCN1CCCCCCC(NC(c2ccccc2)(c2ccccc2)c2ccccc2)C1=O

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 7/20 0.41
▸ MME P08473 1/20 0.39
▸ SRC P12931 6/20 0.39
▸ APP P05067 1/20 0.38
▸ NPY1R P25929 1/20 0.37
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ F2 P00734 2/20 0.36
▸ XIAP P98170 1/20 0.36
▸ PRSS1 P07477 1/20 0.36
▸ PRSS2 P07478 1/20 0.36
▸ PRSS3 P35030 1/20 0.36
▸ FNTA P49354 1/20 0.36
▸ FNTB P49356 1/20 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
SCHEMBL7814776 0.99 ACE (0.40) ACEMMESRCAPPNPY1R
SCHEMBL7814341 0.99 ACE (0.40) ACEMMESRCAPPNPY1R
SCHEMBL5408640 0.85 SRC (0.50) ACEMMESRCAPPNPY1R
SCHEMBL13929781 0.73 APP (0.49) ACEMMESRCAPPNPY1R
SCHEMBL13929813 0.73 APP (0.49) ACEMMESRCAPPNPY1R
SCHEMBL14169965 0.73 GAA (0.39) ACEMMEALOX5APFEN1
SCHEMBL10209107 0.71 GAA (0.38) ACEMMESRCAPPALOX5AP
SCHEMBL7817778 0.71 CYP2D6 (0.42) —
SCHEMBL21143944 0.71 ACE (0.44) ACEMMESRCAPPNPY1R
SCHEMBL5638958 0.71 ACE (0.44) ACEMMESRCAPPNPY1R

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-0794184-B1 6-METHOXY-1H-BENZOTRIAZOLE-5-CARBOXAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO (JP) 2001-05-30 — — EP disclosed
US-5932568-A GASTROINTESTINAL DISORDERS DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1999-08-03 — — US disclosed
EP-0794184-A1 6-METHOXY-1H-BENZOTRIAZOLE-5-CARBOXAMIDE DERIVATIVES, PROCESS FOR PRODUCING THE SAME, AND MEDICINAL COMPOSITION CONTAINING THE SAME DAINIPPON PHARMACEUTICAL CO., LTD. (JP) 1997-09-10 — — EP disclosed
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