SCHEMBL9202863

SCHEMBL9202863

CC(C)(C)OC(=O)C1CN(c2ccccc2)C(=O)C1N

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.40
MT-CO2 P00403 1/20 0.39
ALOX5 P09917 1/20 0.39
HPGD P15428 1/20 0.36
RORC P51449 1/20 0.36
NPC1 O15118 1/20 0.36
CCKBR P32239 1/20 0.35
TSHR P16473 2/20 0.35
USP2 O75604 1/20 0.35
TP53 P04637 1/20 0.35
DPP4 P27487 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL9198831 0.83 SCN9A (0.41)
SCHEMBL9200999 0.82 NPC1 (0.46) HPGDNPC1
SCHEMBL24322391 0.80 CCKBR (0.46) HPGDNPC1CCKBRTSHRUSP2
SCHEMBL9198952 0.79 SIRT1 (0.44) HPGDCCKBRTSHR
SCHEMBL6865334 0.79 SIRT1 (0.44) HPGDCCKBRTSHR
SCHEMBL27758251 0.76 BRD4 (0.36)
SCHEMBL27758249 0.73 KDM1A (0.37) GPR119USP2
SCHEMBL9200635 0.73 CCKBR (0.52) CCKBRTP53
SCHEMBL9200663 0.73 CCKBR (0.52) CCKBRTP53
SCHEMBL9200647 0.73 CCKBR (0.52) CCKBRTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0561941-B1 N-SUBSTITUTED LACTAMS USEFUL AS CHOLECYSTOKININ ANTAGONISTS SEARLE & CO (US) 1995-01-04 EP disclosed
US-5314886-A N-substituted lactams useful as cholecystokinin antagonists G. D. SEARLE & CO. (US) 1994-05-24 US disclosed
EP-0561941-A1 N-SUBSTITUTED LACTAMS USEFUL AS CHOLECYSTOKININ ANTAGONISTS. SEARLE & CO (US) 1993-09-29 EP disclosed
US-5202344-A Disorders of the gastrointestinal, central nervous system and appetite regulatory systems G. D. SEARLE & CO. (US) 1993-04-13 US disclosed
WO-1992010476-A1 N-SUBSTITUTED LACTAMS USEFUL AS CHOLECYSTOKININ ANTAGONISTS G.D. SEARLE & CO. (US) 1992-06-25 WO disclosed