SCHEMBL6178646

SCHEMBL6178646

CN(C(=O)CN1C(=O)C(NC(=O)OC(C)(C)C)CN(C2CCCCC2)c2ccccc21)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
CCKAR P32238 1/20 0.41
CCKBR P32239 1/20 0.41
SCN9A Q15858 7/20 0.41
KMT2A Q03164 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ACE P12821 1/20 0.40

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
SCHEMBL6178675 0.87 ACE (0.42) CCKBRSCN9AKMT2AL3MBTL1ACE
SCHEMBL6178348 0.86 SCN9A (0.47) POLBCCKARCCKBRSCN9AACE
SCHEMBL6181104 0.86 CCKBR (0.43) CCKARCCKBRSCN9AKMT2AL3MBTL1
SCHEMBL6178297 0.86 CCKBR (0.43) CCKARCCKBRSCN9AKMT2AL3MBTL1
SCHEMBL6181583 0.86 CCKBR (0.43) CCKARCCKBRSCN9AKMT2AL3MBTL1
SCHEMBL6182762 0.85 SCN9A (0.43) CCKARCCKBRSCN9AKMT2AL3MBTL1
SCHEMBL6177390 0.84 CCKBR (0.45) CCKBRSCN9AKMT2AL3MBTL1ACE
SCHEMBL6178120 0.83 SCN9A (0.42) POLBCCKARCCKBRSCN9AACE
SCHEMBL7960849 0.83 CCKBR (0.47) POLBCCKARCCKBRKMT2AL3MBTL1
SCHEMBL15212822 0.82 ACE (0.40) CCKBRSCN9AKMT2AL3MBTL1ACE

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