SCHEMBL9549892

SCHEMBL9549892

CCN1CCC[C@H]1CNC(=O)c1c(O)c(Br)cc(O)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 8/20 0.86
DRD4 P21917 1/20 0.83
DRD3 P35462 1/20 0.83

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
SCHEMBL9549904 1.00 DRD2 (0.86) DRD2DRD4DRD3
SCHEMBL9549931 0.93 DRD2 (1.00) DRD2
SCHEMBL9549949 0.93 DRD2 (1.00) DRD2
SCHEMBL10694519 0.93 DRD2 (0.85) DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL10922109 0.92 DRD2 (0.83) DRD2DRD4DRD3
SCHEMBL9550034 0.92 DRD2 (0.86) DRD2DRD4DRD3
SCHEMBL9550022 0.92 DRD2 (0.86) DRD2DRD4DRD3
SCHEMBL9549986 0.91 DRD3 (1.00) DRD2DRD4DRD3
SCHEMBL9550006 0.91 DRD3 (1.00) DRD2DRD4DRD3
SCHEMBL9550077 0.90 DRD2 (0.80) DRD2DRD4DRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5240957-A Dopaminergic agent ASTRA LAKEMEDEL AKTEIBOLAG (SE) 1993-08-31 US disclosed
EP-0156776-B1 DERIVATIVES OF N-(2-PYRROLIDINYLMETHYL)-BENZAMIDE, PROCESS FOR THEIR PREPARATION, INTERMEDIATES AND A PHARMACEUTICAL PREPARATION Astra Läkemedel Aktiebolag (SE) 1989-03-29 EP disclosed
EP-0156776-A1 Derivatives of N-(2-pyrrolidinylmethyl)-benzamide, process for their preparation, intermediates and a pharmaceutical preparation Astra Läkemedel Aktiebolag (SE) 1985-10-02 EP disclosed