SCHEMBL9208975

SCHEMBL9208975

O=C(N[C@@H]1C(=O)N(c2ccccc2F)C[C@@H]1C(=O)O)c1ccc2ccccc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CCKBR P32239 3/20 0.62
DRD2 P14416 1/20 0.43
ADRA1A P35348 1/20 0.43
DRD3 P35462 1/20 0.43
GAA P10253 1/20 0.42
DRD4 P21917 2/20 0.41
SLC6A12 P48065 1/20 0.41
SLC6A13 Q9NSD5 1/20 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
SCHEMBL9302071 1.00 CCKBR (0.62) CCKBRDRD2ADRA1ADRD3GAA
SCHEMBL9206624 0.86 CCKBR (0.68) CCKBRDRD4SLC6A12SLC6A13
SCHEMBL9201585 0.86 CCKBR (0.68) CCKBRDRD4SLC6A12SLC6A13
SCHEMBL9201573 0.86 CCKBR (0.68) CCKBRDRD4SLC6A12SLC6A13
SCHEMBL9205637 0.86 CCKBR (0.68) CCKBRDRD4SLC6A12SLC6A13
SCHEMBL9201582 0.86 CCKBR (0.68) CCKBRDRD4SLC6A12SLC6A13
SCHEMBL9205770 0.86 CCKBR (0.46) CCKBRDRD2ADRA1ADRD3GAA
SCHEMBL9205759 0.86 CCKBR (0.46) CCKBRDRD2ADRA1ADRD3GAA
SCHEMBL9205749 0.86 CCKBR (0.46) CCKBRDRD2ADRA1ADRD3GAA
SCHEMBL9202445 0.78 CCKBR (0.57) CCKBRDRD4SLC6A12SLC6A13

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-0561941-B1 N-SUBSTITUTED LACTAMS USEFUL AS CHOLECYSTOKININ ANTAGONISTS SEARLE & CO (US) 1995-01-04 EP claimed
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
WO-1992010476-A1 N-SUBSTITUTED LACTAMS USEFUL AS CHOLECYSTOKININ ANTAGONISTS G.D. SEARLE & CO. (US) 1992-06-25 WO disclosed