SCHEMBL6181983

SCHEMBL6181983

Cc1ccc2c(c1)N(CC(=O)c1ccco1)C(=O)C(NC(=O)OC(C)(C)C)CN2C(=O)C(C)(C)C

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 5/20 0.36
SCN9A Q15858 4/20 0.35
NPC1 O15118 2/20 0.35
RAB9A P51151 2/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
ALDH1A1 P00352 2/20 0.34
LMNA P02545 2/20 0.34
HTT P42858 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
KMT2A Q03164 1/20 0.34
NPY1R P25929 1/20 0.34
TP53 P04637 1/20 0.33

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
SCHEMBL7959681 0.88 CCKBR (0.35) CCKBRSCN9ANPY1R
SCHEMBL7959563 0.85 HTT (0.37) CCKBRSCN9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL6176603 0.85 CCKBR (0.39) CCKBRSCN9ALMNAMAPT
SCHEMBL7962064 0.84 CCKBR (0.36) CCKBRSCN9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL7950890 0.83 HTT (0.38) SMN1; SMN2ALDH1A1HTTKDM4EKMT2A
SCHEMBL7960830 0.82 CCKBR (0.35) CCKBRSCN9ALMNA
SCHEMBL6178664 0.82 CCKBR (0.52) CCKBR
SCHEMBL6178953 0.82 CCKBR (0.47) CCKBRNPC1RAB9ALMNAKMT2A
SCHEMBL6178660 0.80 CCKBR (0.38) CCKBRSCN9ALMNAMAPT
SCHEMBL6177392 0.78 CCKBR (0.39) CCKBRLMNAMAPT

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