SCHEMBL8527237

SCHEMBL8527237

COc1c(C(=O)NCC2CCCN2CC2CC2)cc(Br)c2ccccc12

nearest known ligand 0.78

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 13/20 0.78
DRD3 P35462 2/20 0.61
DRD2 P14416 1/20 0.61
DRD4 P21917 1/20 0.61
KDM4E B2RXH2 2/20 0.59
ALDH1A1 P00352 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
ALOX15 P16050 1/20 0.59
MAPK1 P28482 1/20 0.59

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
SCHEMBL8527031 0.91 SIGMAR1 (0.82) SIGMAR1DRD3DRD2
Hydrochloric Acid SCHEMBL9092327 0.90 SIGMAR1 (0.81) SIGMAR1DRD3DRD2
SCHEMBL8525946 0.87 KDM4E (0.77) SIGMAR1DRD3DRD2DRD4KDM4E
Hydrochloric Acid SCHEMBL9091591 0.86 KDM4E (0.75) SIGMAR1DRD3DRD2DRD4KDM4E
SCHEMBL8527008 0.81 SIGMAR1 (0.67) SIGMAR1DRD3DRD2
SCHEMBL8526543 0.81 DRD3 (0.68) SIGMAR1DRD3DRD2KDM4EALDH1A1
SCHEMBL8526591 0.80 SIGMAR1 (0.66) SIGMAR1DRD3DRD2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL8528710 0.80 SIGMAR1 (0.66) SIGMAR1DRD3DRD2
Hydrochloric Acid SCHEMBL9088683 0.80 DRD3 (0.67) SIGMAR1DRD3DRD2KDM4EALDH1A1
SCHEMBL8527239 0.80 SIGMAR1 (0.65) SIGMAR1DRD3DRD2KDM4EALDH1A1

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-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