SCHEMBL6178737

SCHEMBL6178737

COc1ccc2c(c1)NC(=O)C(NC(=O)OCc1ccccc1)CN2c1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KCNQ2 O43526 1/20 0.45
BRD4 O60885 1/20 0.42
BRD2 P25440 1/20 0.42
BRD3 Q15059 1/20 0.42
NAAA Q02083 4/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
ACHE P22303 1/20 0.42
ASAH1 Q13510 1/20 0.41
MAPKAPK2 P49137 1/20 0.41
TP53 P04637 1/20 0.40
PRNP P04156 1/20 0.40
TSHR P16473 1/20 0.39
PREP P48147 2/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL7959596 0.89 KCNQ2 (0.38) KCNQ2BRD4BRD2BRD3NAAA
SCHEMBL6176791 0.86 NAAA (0.48) NAAAPREP
SCHEMBL16059873 0.80 CA1 (0.47) KCNQ2NAAACA1CA2ACHE
SCHEMBL17557005 0.80 CA1 (0.47) KCNQ2NAAACA1CA2ACHE
SCHEMBL17556856 0.80 CA1 (0.47) KCNQ2NAAACA1CA2ACHE
SCHEMBL7962689 0.78 BRD4 (0.40) KCNQ2BRD4BRD2BRD3CA1
SCHEMBL6195215 0.76 CCKBR (0.47) NAAAPREP
SCHEMBL6179174 0.74 EPHX2 (0.42) BRD4
SCHEMBL10735046 0.73 NAAA (0.44) NAAAASAH1TP53PREPHPGD
SCHEMBL6176821 0.72 GAA (0.48) NAAAASAH1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0945445-B9 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2005-12-28 EP disclosed
EP-0945445-B1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARM CO LTD (JP) 2003-09-03 EP disclosed
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
EP-0945445-A1 1,5-BENZODIAZEPINE DERIVATIVES ZERIA PHARMACEUTICAL CO., LTD. (JP) 1999-09-29 EP disclosed