SCHEMBL6178982

SCHEMBL6178982

CC(C)(C)C(=O)CN1C(=O)C(NC(=O)OCc2ccccc2)CN(c2ccccc2)c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ACE P12821 3/20 0.41
ALDH1A1 P00352 2/20 0.40
SENP1 Q9P0U3 1/20 0.40
PREP P48147 2/20 0.40
NAAA Q02083 2/20 0.39
SCN9A Q15858 1/20 0.39
MME P08473 1/20 0.39
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSK P43235 1/20 0.38
GAA P10253 1/20 0.38

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
SCHEMBL6177308 0.90 PARP1 (0.40) ACEALDH1A1SENP1PREPNAAA
SCHEMBL7962689 0.90 BRD4 (0.40) ALDH1A1PREP
SCHEMBL6176498 0.89 CCKBR (0.44)
SCHEMBL6179148 0.85 SCN9A (0.47) ALDH1A1SENP1PREPNAAASCN9A
SCHEMBL6180175 0.84 ACE (0.41) ACESENP1PREPNAAA
SCHEMBL6180398 0.84 CCKAR (0.44) ACEPREPNAAA
SCHEMBL6181003 0.83 POLB (0.45) ACEALDH1A1SENP1PREPNAAA
SCHEMBL7951149 0.83 CCKBR (0.46)
SCHEMBL1395055 0.82 ALDH1A1 (0.43) ACEALDH1A1SCN9AMME
SCHEMBL6176834 0.82 ACE (0.42) ACEPREPNAAAGAA

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