SCHEMBL6178686

SCHEMBL6178686

Cc1ccccc1C(=O)CN1C(=O)C(NC(=O)OC(C)(C)C)CN(C(=O)C2CCCN2C(=O)OCc2ccccc2)c2ccccc21

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.42
GFER P55789 1/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KLK7 P49862 3/20 0.40
CTSK P43235 1/20 0.40
NPSR1 Q6W5P4 1/20 0.39
PDE4B Q07343 1/20 0.38
TSHR P16473 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
KLK5 Q9Y337 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
SCHEMBL6178571 0.98 CTSK (0.40) PREPGFERMEN1KMT2AKLK7
SCHEMBL6176809 0.89 PREP (0.44) PREPGFERKLK7CTSKNPSR1
SCHEMBL6176839 0.88 HTT (0.41) PDE4B
SCHEMBL6180327 0.83 TSHR (0.41) PREPGFERMEN1KMT2ANPSR1
SCHEMBL6177673 0.82 ACE (0.38) TSHR
SCHEMBL6177871 0.82 ACE (0.39)
SCHEMBL7950707 0.82 PDE4B (0.38) NPSR1PDE4BTSHR
SCHEMBL6175171 0.82 TSHR (0.38) MEN1KMT2ANPSR1TSHR
SCHEMBL6181436 0.81 CCKBR (0.41) GFERCTSKNPSR1TSHR
SCHEMBL6176902 0.81 XIAP (0.46) MEN1KMT2ATSHR

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