SCHEMBL7960849

SCHEMBL7960849

CC(C)(C)OC(=O)NC1CN(C2CCCCC2)c2ccccc2N(CC(=O)N2CCCC2)C1=O

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 10/20 0.47
CCKAR P32238 4/20 0.47
RAB9A P51151 1/20 0.42
ACE P12821 1/20 0.41
NPC1L1 Q9UHC9 2/20 0.40
KMT2A Q03164 2/20 0.40
MEN1 O00255 1/20 0.40
POLB P06746 1/20 0.40
L3MBTL1 Q9Y468 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
SCHEMBL6178675 0.89 ACE (0.42) CCKBRACEKMT2AL3MBTL1
SCHEMBL6178297 0.88 CCKBR (0.43) CCKBRCCKARACEKMT2AL3MBTL1
SCHEMBL6181104 0.88 CCKBR (0.43) CCKBRCCKARACEKMT2AL3MBTL1
SCHEMBL6181583 0.88 CCKBR (0.43) CCKBRCCKARACEKMT2AL3MBTL1
SCHEMBL6182762 0.87 SCN9A (0.43) CCKBRCCKARACEKMT2AL3MBTL1
SCHEMBL6177390 0.86 CCKBR (0.45) CCKBRACEKMT2AL3MBTL1
SCHEMBL15212822 0.84 ACE (0.40) CCKBRACEKMT2AL3MBTL1
SCHEMBL7466267 0.84 CCKBR (0.52) CCKBRCCKARRAB9AKMT2AMEN1
SCHEMBL6179669 0.84 CCKBR (0.43) CCKBRCCKARRAB9AACEKMT2A
SCHEMBL6178646 0.83 POLB (0.43) CCKBRCCKARACEKMT2APOLB

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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