SCHEMBL8528189

SCHEMBL8528189

COc1c(C(=O)NC(C)C2CCCN2)cc(Br)c2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 20/20 0.54

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
SCHEMBL8526906 0.77 DRD3 (0.61) SIGMAR1
SCHEMBL3289063 0.72 SLC6A3 (0.48)
SCHEMBL8529262 0.72 SIGMAR1 (0.48) SIGMAR1
SCHEMBL14738849 0.71 SIGMAR1 (0.64) SIGMAR1
SCHEMBL8528436 0.71 DRD3 (0.52) SIGMAR1
SCHEMBL2131809 0.69 KDM4E (0.59) SIGMAR1
SCHEMBL8967226 0.69 SIGMAR1 (0.66) SIGMAR1
SCHEMBL8528941 0.69 DRD3 (0.46) SIGMAR1
Hydrochloric Acid SCHEMBL9091554 0.68 DRD3 (0.45) SIGMAR1
SCHEMBL5477774 0.68 DRD3 (0.51) SIGMAR1

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