SCHEMBL6176809

SCHEMBL6176809

CC(C)(C)OC(=O)NC1CN(C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)c2ccccc2N(CC(=O)C(C)(C)C)C1=O

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PREP P48147 4/20 0.44
CTSK P43235 1/20 0.42
GFER P55789 1/20 0.42
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 1/20 0.41
LMNA P02545 1/20 0.41
KLK7 P49862 2/20 0.40
UCHL1 P09936 1/20 0.40
PRCP P42785 1/20 0.40
SCN9A Q15858 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
SCHEMBL6178686 0.89 PREP (0.42) PREPCTSKGFERNPSR1TSHR
SCHEMBL6178571 0.87 CTSK (0.40) PREPCTSKGFERKLK7
SCHEMBL6180195 0.85 PREP (0.49) PREPCTSKGFERNPSR1TSHR
SCHEMBL6175357 0.84 CCKBR (0.42) PREPCTSKGFERNPSR1TSHR
SCHEMBL6177679 0.83 CTSK (0.47) PREPCTSKGFERNPSR1TSHR
SCHEMBL6179135 0.83 CTSK (0.47) PREPCTSKGFERNPSR1TSHR
SCHEMBL6180290 0.81 CTSK (0.48) PREPCTSKGFERNPSR1
SCHEMBL6177528 0.78 SCN9A (0.42) SCN9A
SCHEMBL6175353 0.78 SCN9A (0.46) SCN9A
SCHEMBL6176839 0.76 HTT (0.41) LMNASCN9A

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