SCHEMBL11273451

SCHEMBL11273451

CN(C)C1CCc2cn(C)cc2C1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.53
DRD1 P21728 1/20 0.53
DRD4 P21917 2/20 0.49
DRD3 P35462 2/20 0.49
CHRM3 P20309 2/20 0.44
HTR1D P28221 4/20 0.43
HTR1B P28222 4/20 0.43
CHRM2 P08172 1/20 0.42
CHRM1 P11229 1/20 0.42
HTR1A P08908 8/20 0.42
HTR7 P34969 8/20 0.42
CHRM5 P08912 1/20 0.39
ADRA2A P08913 1/20 0.39
ADRA2B P18089 1/20 0.39
HTR3A P46098 1/20 0.39
HTR5A P47898 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL11272576 0.80 DRD2 (0.56) DRD2DRD4DRD3HTR1DHTR1B
SCHEMBL11493897 0.79 DRD2 (0.40) DRD2DRD1DRD4DRD3CHRM3
SCHEMBL11264574 0.78 HTR1A (0.62) DRD2DRD4DRD3HTR1A
SCHEMBL11490463 0.77 DRD2 (0.41) DRD2DRD1DRD4DRD3HTR1D
SCHEMBL11269935 0.75 DRD2 (0.44) DRD2DRD1DRD4DRD3CHRM3
SCHEMBL1950024 0.72 HTR1A (0.61) DRD2DRD1DRD4DRD3CHRM3
SCHEMBL823058 0.72 HTR1A (0.61) DRD2DRD1DRD4DRD3CHRM3
SCHEMBL822940 0.72 HTR1A (0.61) DRD2DRD1DRD4DRD3CHRM3
SCHEMBL29507805 0.72 HTR1A (0.61) DRD2DRD1DRD4DRD3CHRM3
SCHEMBL31564615 0.71 DRD2 (0.59) DRD2DRD1DRD4DRD3CHRM3

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0014792-B1 TETRAHYDRO-2H-BENZO(C)PYRROLES, THEIR PREPARATION, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND THE COMPOUNDS FOR USE AS THERAPEUTICALS ELI LILLY AND COMPANY (US) 1982-12-01 EP disclosed
US-4264622-A TREATMENT OF PARKINSON*S DISEASE ELI LILLY AND COMPANY (US) 1981-04-28 US disclosed
US-4235776-A USED FOR TREATMENT OF PARKINSON'S DISEASE, PROLACTIN INHIBITORS, AND DOPAMINE AGONISTS ELI LILLY AND COMPANY (US) 1980-11-25 US disclosed