SCHEMBL11065995

SCHEMBL11065995

Cn1c(CCN2CCN(c3cccc(Cl)c3)CC2)nc2ccc3ccccc3c21

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.56
KDM4E B2RXH2 1/20 0.56
OPRD1 P41143 1/20 0.56
SIGMAR1 Q99720 2/20 0.54
PARP1 P09874 1/20 0.51
HTR1A P08908 6/20 0.50
HTR7 P34969 5/20 0.50
SLC6A4 P31645 2/20 0.50
KCNH2 Q12809 2/20 0.50
SLC6A2 P23975 1/20 0.50
ADRA2A P08913 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD1 P21728 1/20 0.50
ADRA1A P35348 1/20 0.50
DRD3 P35462 1/20 0.50
SLC6A3 Q01959 1/20 0.50
HTR6 P50406 1/20 0.48
PDE10A Q9Y233 1/20 0.48

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
SCHEMBL11062412 0.89 KCNH2 (0.50) OPRM1KDM4EOPRD1HTR1AHTR7
SCHEMBL10601879 0.89 DRD4 (0.54) SIGMAR1HTR1AHTR7SLC6A4DRD1
SCHEMBL10601141 0.88 PDE10A (0.55) KDM4ESIGMAR1PARP1HTR1AHTR7
SCHEMBL11361973 0.87 DRD2 (0.52) HTR1AHTR7KCNH2DRD3HTR6
Water SCHEMBL11067600 0.86 DRD2 (0.51) HTR1AHTR7KCNH2DRD3HTR6
SCHEMBL11073089 0.86 PDE10A (0.48) KDM4EPARP1HTR1AHTR7DRD3
SCHEMBL10601043 0.85 SIGMAR1 (0.56) SIGMAR1HTR1AHTR7ADRA1ADRD3
SCHEMBL11069682 0.83 PDE10A (0.52) KDM4EHTR1AHTR7SLC6A4KCNH2
SCHEMBL11062672 0.83 MAPT (0.52) KDM4EHTR1AHTR7SLC6A4SLC6A2
SCHEMBL11282844 0.82 PDE10A (0.53) SIGMAR1PARP1HTR1AHTR7KCNH2

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-0034249-B1 NEW NAPHTHIMIDAZOLE AND NAPHTHOXAZOLE DERIVATIVES, THEIR PREPARATION, AND THEIR USE IN PHARMACEUTICALS GRUPPO LEPETIT S.P.A. (IT) 1984-10-24 EP disclosed
US-4461894-A Naphth[1,2-d]imidazoles GRUPPO LEPETIT S.P.A. (IT) 1984-07-24 US disclosed
US-4360674-A Naphth[1,2-d]imidazoles GRUPPO LEPETIT S.P.A. (IT) 1982-11-23 US disclosed
EP-0034249-A2 New naphthimidazole and naphthoxazole derivatives, their preparation, and their use in pharmaceuticals GRUPPO LEPETIT S.P.A. (IT) 1981-08-26 EP disclosed