SCHEMBL7962877

SCHEMBL7962877

O=C(NC1CNc2ccccc2N(c2ccccc2)C1=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 14/20 0.54
CTSL P07711 1/20 0.46
ASAH1 Q13510 3/20 0.44
RIPK1 Q13546 1/20 0.44

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
SCHEMBL8342642 0.78 GAA (0.63) NAAA
SCHEMBL6177700 0.78 NAAA (0.67) NAAACTSLASAH1RIPK1
SCHEMBL4079431 0.76 NAAA (0.85) NAAACTSLASAH1
SCHEMBL4073924 0.76 NAAA (0.85) NAAACTSLASAH1
SCHEMBL4073930 0.76 NAAA (0.85) NAAACTSLASAH1
SCHEMBL6181701 0.76 ALDH1A1 (0.44) NAAACTSLASAH1
SCHEMBL6178886 0.76 CTSK (0.43) NAAACTSL
SCHEMBL644741 0.75 SCN9A (0.47) NAAACTSLRIPK1
SCHEMBL6176791 0.74 NAAA (0.48) NAAACTSL
SCHEMBL13140087 0.74 RIPK1 (0.42) NAAACTSLRIPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6239131-B1 WHICH HAVE GASTRIN AND/OR CCK-B (CHOLECYSTOKININ-B) RECEPTOR ANTAGONISM, USEFUL AS REMEDIES FOR GASTRIC ULCER AND GASTROINTESTINAL MOVEMENT DISORDER. ZERIA PHARMACEUTICAL CO., LTD. (JP) 2001-05-29 US disclosed