SCHEMBL6180171

SCHEMBL6180171

CCOC(=O)c1cccc(NC(=O)NC2CN(C(=O)CC(C)C)c3ccc(C)cc3N(CC(=O)c3ccccc3C)C2=O)c1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 11/20 0.45
CYP3A4 P08684 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 1/20 0.44
POLB P06746 1/20 0.44
PKM P14618 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.41
LMNA P02545 2/20 0.40
TP53 P04637 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
SCHEMBL6176935 0.93 CCKBR (0.46) CCKBRCYP3A4MAPTTSHRPOLB
SCHEMBL6178450 0.92 CCKBR (0.50) CCKBRCYP3A4MAPTTSHR
SCHEMBL6177002 0.91 CCKBR (0.47) CCKBRCYP3A4MAPTTSHRPOLB
SCHEMBL7962876 0.91 CCKBR (0.47) CCKBRCYP3A4MAPTTSHRPOLB
SCHEMBL6179769 0.91 CCKBR (0.48) CCKBRCYP3A4MAPTTSHRPOLB
SCHEMBL6177496 0.90 CCKBR (0.48) CCKBRCYP3A4MAPTTSHRPOLB
SCHEMBL6195641 0.90 CCKBR (0.46) CCKBRCYP3A4MAPTTSHRPOLB
SCHEMBL6176419 0.90 CCKBR (0.45) CCKBRCYP3A4MAPTTSHRPOLB
SCHEMBL6179079 0.90 CCKBR (0.49) CCKBRCYP3A4MAPTTSHRPOLB
SCHEMBL6176367 0.89 CCKBR (0.45) CCKBRCYP3A4MAPTTSHRPOLB

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