SCHEMBL9549957

SCHEMBL9549957

COc1cc(Br)c(O)c(C(=O)NC[C@H]2CCCN2Cc2ccccc2)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.77
DRD3 P35462 2/20 0.77
DRD4 P21917 1/20 0.77
SIGMAR1 Q99720 2/20 0.67

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
SCHEMBL9549974 1.00 DRD2 (0.77) DRD2DRD3DRD4SIGMAR1
SCHEMBL9550088 0.93 DRD2 (0.70) DRD2DRD3DRD4SIGMAR1
SCHEMBL9550080 0.93 DRD2 (0.70) DRD2DRD3DRD4SIGMAR1
SCHEMBL9549999 0.93 SIGMAR1 (0.69) DRD2DRD3DRD4SIGMAR1
SCHEMBL9550009 0.93 SIGMAR1 (0.69) DRD2DRD3DRD4SIGMAR1
SCHEMBL10695864 0.88 SIGMAR1 (0.77) DRD2DRD3DRD4SIGMAR1
Hydrochloric Acid SCHEMBL10695368 0.87 DRD2 (0.76) DRD2DRD3DRD4SIGMAR1
SCHEMBL9549986 0.87 DRD3 (1.00) DRD2DRD3DRD4
SCHEMBL9550006 0.87 DRD3 (1.00) DRD2DRD3DRD4
SCHEMBL9549911 0.84 DRD3 (0.79) DRD2DRD3DRD4

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