SCHEMBL8528436

SCHEMBL8528436

COc1c(C(=O)NC(C)N2CCOCC2)cc(Br)c2ccccc12

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 5/20 0.52
DRD2 P14416 3/20 0.52
SIGMAR1 Q99720 15/20 0.51

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
SCHEMBL8527025 0.86 DRD3 (0.46) DRD3DRD2SIGMAR1
SCHEMBL8526587 0.85 DRD3 (0.43) DRD3DRD2SIGMAR1
Hydrochloric Acid SCHEMBL9091460 0.85 DRD3 (0.45) DRD3DRD2SIGMAR1
Hydrochloric Acid SCHEMBL9089128 0.85 DRD3 (0.43) DRD3DRD2SIGMAR1
SCHEMBL8526354 0.84 DRD2 (0.43) DRD3DRD2
SCHEMBL8525948 0.78 DRD3 (0.78) DRD3DRD2SIGMAR1
SCHEMBL8529262 0.73 SIGMAR1 (0.48) DRD3DRD2SIGMAR1
SCHEMBL8528189 0.71 SIGMAR1 (0.54) SIGMAR1
SCHEMBL2131809 0.71 KDM4E (0.59) DRD3DRD2SIGMAR1
SCHEMBL9109340 0.71 SIGMAR1 (0.50) 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 2 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
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