SCHEMBL8525948

SCHEMBL8525948

COc1c(C(=O)NCCN2CCOCC2)cc(Br)c2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 18/20 0.78
DRD2 P14416 11/20 0.78
SIGMAR1 Q99720 2/20 0.71

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
SCHEMBL8528789 0.90 DRD3 (0.79) DRD3DRD2SIGMAR1
SCHEMBL6986108 0.88 DRD3 (1.00) DRD3DRD2
SCHEMBL8527029 0.87 DRD3 (0.67) DRD3DRD2SIGMAR1
Hydrochloric Acid SCHEMBL8525935 0.86 DRD3 (0.66) DRD3DRD2SIGMAR1
SCHEMBL8526588 0.85 DRD3 (0.61) DRD3DRD2SIGMAR1
Hydrochloric Acid SCHEMBL8527267 0.84 DRD3 (0.61) DRD3DRD2SIGMAR1
SCHEMBL6985375 0.84 DRD3 (1.00) DRD3DRD2
SCHEMBL8526355 0.84 MEN1 (0.66) DRD3DRD2
SCHEMBL6984226 0.83 DRD3 (1.00) DRD3DRD2
SCHEMBL6985952 0.83 DRD3 (1.00) DRD3DRD2SIGMAR1

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-0539281-B1 Naphthamides, process for their preparation and their application in the therapeutical field INST NAT SANTE RECH MED (FR) 1998-12-30 EP claimed
EP-0539281-B1 Naphthamides, process for their preparation and their application in the therapeutical field INST NAT SANTE RECH MED (FR) 1998-12-30 EP disclosed
US-5498628-A ANTIPSYCHOTIC, PSYCHOSTIMULATORY, ANTIAUTISTIC, ANTIDEPRESSANT AND HYPOTENSIVE AGENTS, PARKINSON'S DISEASE INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (FR) 1996-03-12 US disclosed
EP-0539281-A1 New naphthamides, process for their preparation and their application in the therapeutical field INSTITUT NATIONAL DE LA SANTE ET DE LA RECHERCHE MEDICALE (INSERM) (FR) 1993-04-28 EP disclosed