SCHEMBL6180195

SCHEMBL6180195

CC(C)(C)C(=O)CN1C(=O)C(N)CN(C(=O)[C@@H]2CCCN2C(=O)OCc2ccccc2)c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PREP P48147 5/20 0.49
GFER P55789 1/20 0.44
KDM1A O60341 1/20 0.43
RCOR1 Q9UKL0 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
TSHR P16473 2/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
KDM4E B2RXH2 1/20 0.42
LMNA P02545 1/20 0.42
CTSK P43235 1/20 0.42
PRCP P42785 1/20 0.42
CTRB1 P17538 1/20 0.42
ALDH1A1 P00352 2/20 0.41

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
SCHEMBL6176809 0.85 PREP (0.44) PREPGFERNPSR1TSHRL3MBTL1
SCHEMBL6175357 0.80 CCKBR (0.42) PREPGFERNPSR1TSHRKDM4E
SCHEMBL6179979 0.74 ALDH1A1 (0.44) ALDH1A1
SCHEMBL13379359 0.73 PREP (0.62) PREPGFERNPSR1TSHRL3MBTL1
SCHEMBL8485812 0.72 PREP (0.56) PREPGFERKDM1ARCOR1NPSR1
SCHEMBL8485809 0.72 PREP (0.56) PREPGFERKDM1ARCOR1NPSR1
SCHEMBL16750358 0.72 PREP (0.58) PREPNPSR1TSHRL3MBTL1CTRB1
SCHEMBL28367 0.72 L3MBTL1 (0.67) PREPNPSR1TSHRL3MBTL1LMNA
SCHEMBL2733159 0.72 L3MBTL1 (0.67) PREPNPSR1TSHRL3MBTL1LMNA
SCHEMBL9371882 0.71 PREP (0.62) PREPGFERNPSR1TSHRL3MBTL1

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