SCHEMBL11069704

SCHEMBL11069704

Cn1c(CCN2CCN(c3ccccc3)CC2)nc2c3ccccc3ccc21

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.50
HTR7 P34969 2/20 0.50
GRM2 Q14416 1/20 0.50
DRD2 P14416 3/20 0.48
MAPT P10636 3/20 0.47
TSHR P16473 1/20 0.47
RAB9A P51151 1/20 0.47
DRD3 P35462 3/20 0.46
HRH3 Q9Y5N1 1/20 0.46
SIGMAR1 Q99720 3/20 0.46
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
HPGD P15428 1/20 0.45
HTT P42858 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
HTR2C P28335 1/20 0.44
KCNH2 Q12809 1/20 0.43
LMNA P02545 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL11060823 0.83 TLR8 (0.54) HTR1AHTR7DRD2MAPTDRD3
SCHEMBL10601141 0.81 PDE10A (0.55) HTR1AHTR7GRM2DRD2MAPT
SCHEMBL11064227 0.79 HTR7 (0.52) HTR1AHTR7DRD2MAPTDRD3
SCHEMBL11073089 0.75 PDE10A (0.48) HTR1AHTR7GRM2DRD2MAPT
SCHEMBL11282844 0.74 PDE10A (0.53) HTR1AHTR7GRM2DRD2DRD3
SCHEMBL11065952 0.74 PARP1 (0.53) HTR1AHTR7DRD2MAPTRAB9A
SCHEMBL11062672 0.74 MAPT (0.52) HTR1AHTR7GRM2MAPTKDM4E
SCHEMBL23105463 0.73 TLR8 (0.50) MAPTTSHRKDM4EALDH1A1HPGD
SCHEMBL10601879 0.73 DRD4 (0.54) HTR1AHTR7GRM2DRD2MAPT
SCHEMBL10602407 0.73 HTR1A (0.44) HTR1AHTR7GRM2DRD2MAPT

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