SCHEMBL10694519

SCHEMBL10694519

CCN1CCCC1CNC(=O)c1c(O)c(Br)cc(Br)c1OC

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.85
DRD4 P21917 1/20 0.85
DRD3 P35462 1/20 0.85

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
Hydrochloric Acid SCHEMBL10922109 0.99 DRD2 (0.83) DRD2DRD4DRD3
SCHEMBL11163460 0.94 DRD2 (0.88) DRD2DRD4DRD3
SCHEMBL9549904 0.93 DRD2 (0.86) DRD2DRD4DRD3
SCHEMBL9550034 0.93 DRD2 (0.86) DRD2DRD4DRD3
SCHEMBL9549892 0.93 DRD2 (0.86) DRD2DRD4DRD3
SCHEMBL9550022 0.93 DRD2 (0.86) DRD2DRD4DRD3
Hydrochloric Acid SCHEMBL10691937 0.93 DRD2 (0.86) DRD2DRD4DRD3
SCHEMBL9549986 0.92 DRD3 (1.00) DRD2DRD4DRD3
SCHEMBL9550006 0.92 DRD3 (1.00) DRD2DRD4DRD3
SCHEMBL9550045 0.92 DRD2 (0.85) 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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4789683-A FOR PSYCHOLOGICAL/GASTROINTESTINAL DISORDERS, SCHIZOPHRENIA ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1988-12-06 US claimed
EP-0060235-B1 BENZAMIDO-DERIVATIVES Astra Läkemedel Aktiebolag (SE) 1986-01-08 EP claimed
EP-0060235-A1 Benzamido-derivatives Astra Läkemedel Aktiebolag (SE) 1982-09-15 EP claimed
US-4789683-A FOR PSYCHOLOGICAL/GASTROINTESTINAL DISORDERS, SCHIZOPHRENIA ASTRA LAKEMEDEL AKTIEBOLAG (SE) 1988-12-06 US disclosed
EP-0060235-B1 BENZAMIDO-DERIVATIVES Astra Läkemedel Aktiebolag (SE) 1986-01-08 EP disclosed
EP-0060235-A1 Benzamido-derivatives Astra Läkemedel Aktiebolag (SE) 1982-09-15 EP disclosed