SCHEMBL9549986

SCHEMBL9549986

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 2/20 1.00
DRD2 P14416 1/20 1.00
DRD4 P21917 1/20 1.00

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
SCHEMBL9550006 1.00 DRD3 (1.00) DRD3DRD2DRD4
SCHEMBL9549897 0.96 DRD3 (0.93) DRD3DRD2DRD4
SCHEMBL9549913 0.96 DRD3 (0.93) DRD3DRD2DRD4
SCHEMBL9550057 0.92 DRD2 (0.85) DRD3DRD2DRD4
SCHEMBL9550045 0.92 DRD2 (0.85) DRD3DRD2DRD4
SCHEMBL9550067 0.92 DRD2 (0.85) DRD3DRD2DRD4
SCHEMBL10694519 0.92 DRD2 (0.85) DRD3DRD2DRD4
SCHEMBL9550074 0.92 DRD2 (0.85) DRD3DRD2DRD4
SCHEMBL9549892 0.91 DRD2 (0.86) DRD3DRD2DRD4
Hydrochloric Acid SCHEMBL10922109 0.91 DRD2 (0.83) DRD3DRD2DRD4

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
US-5240957-A Dopaminergic agent ASTRA LAKEMEDEL AKTEIBOLAG (SE) 1993-08-31 US claimed
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