SCHEMBL8525946

SCHEMBL8525946

CCCCN1CCCC1CNC(=O)c1cc(Br)c2ccccc2c1OC

nearest known ligand 0.77

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.77
DRD3 P35462 2/20 0.77
ALDH1A1 P00352 1/20 0.77
CYP1A2 P05177 1/20 0.77
CYP3A4 P08684 1/20 0.77
CYP2D6 P10635 1/20 0.77
CYP2C9 P11712 1/20 0.77
ALOX15 P16050 1/20 0.77
MAPK1 P28482 1/20 0.77
SIGMAR1 Q99720 13/20 0.76
DRD2 P14416 1/20 0.57
DRD1 P21728 1/20 0.57
DRD4 P21917 1/20 0.57
DRD5 P21918 1/20 0.57

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
Hydrochloric Acid SCHEMBL9091591 0.99 KDM4E (0.75) KDM4EDRD3ALDH1A1CYP1A2CYP3A4
SCHEMBL8527031 0.92 SIGMAR1 (0.82) DRD3SIGMAR1DRD2
Hydrochloric Acid SCHEMBL9092327 0.91 SIGMAR1 (0.81) DRD3SIGMAR1DRD2
SCHEMBL8527237 0.87 SIGMAR1 (0.78) KDM4EDRD3ALDH1A1CYP1A2CYP3A4
Nafadotride SCHEMBL31555135 0.87 DRD3 (1.00) KDM4EDRD3ALDH1A1CYP1A2CYP3A4
Nafadotride SCHEMBL635866 0.87 DRD3 (1.00) KDM4EDRD3ALDH1A1CYP1A2CYP3A4
SCHEMBL8526591 0.86 SIGMAR1 (0.66) KDM4EDRD3ALDH1A1CYP1A2CYP3A4
SCHEMBL8525891 0.84 DRD3 (0.95) KDM4EDRD3ALDH1A1CYP1A2CYP3A4
SCHEMBL8527263 0.84 KDM4E (0.69) KDM4EDRD3ALDH1A1CYP1A2CYP3A4
SCHEMBL8526450 0.83 DRD3 (0.68) KDM4EDRD3ALDH1A1CYP1A2CYP3A4

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 6 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
JP-5331135-A None JP disclosed
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
JP-H05331135-A NEW NAPHTHAMIDE DERIVATIVE, ITS SYNTHESIS AND ITS APPLICATION FOR THERAPY INST NATL SANTE & RECH MED <INSERM> 1993-12-14 JP 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