SCHEMBL8525976

SCHEMBL8525976

COc1c(C(=O)NC2CCN(Cc3ccccc3)CC2)cc(Br)c2ccccc12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 10/20 1.00
DRD2 P14416 8/20 0.89
DRD4 P21917 8/20 0.89
DRD3 P35462 8/20 0.89
SLC6A12 P48065 1/20 0.66

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
SCHEMBL8526596 0.86 SIGMAR1 (0.75) SIGMAR1DRD2DRD4DRD3
SCHEMBL8120171 0.84 SIGMAR1 (0.93) SIGMAR1DRD2DRD4DRD3
SCHEMBL8117971 0.83 SIGMAR1 (1.00) SIGMAR1DRD2DRD4DRD3
SCHEMBL6956820 0.79 SIGMAR1 (0.73) SIGMAR1DRD4SLC6A12
SCHEMBL10107601 0.79 SLC6A12 (0.83) SIGMAR1DRD2DRD4DRD3SLC6A12
SCHEMBL8119272 0.78 SIGMAR1 (0.82) SIGMAR1DRD2DRD4DRD3
SCHEMBL8111456 0.78 SIGMAR1 (0.80) SIGMAR1DRD2DRD4DRD3
SCHEMBL6109825 0.76 DRD4 (0.76) SIGMAR1DRD2DRD4DRD3SLC6A12
SCHEMBL8525768 0.76 SIGMAR1 (0.61) SIGMAR1DRD2DRD4DRD3SLC6A12
Hydrochloric Acid SCHEMBL9092182 0.75 SIGMAR1 (0.60) SIGMAR1DRD2DRD4DRD3SLC6A12

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 5 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-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 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