SCHEMBL11267287

SCHEMBL11267287

CCCN(CCC)C1CCc2c[nH]cc2C1

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.64
FYN P06241 1/20 0.60
DRD2 P14416 10/20 0.56
DRD3 P35462 10/20 0.56
DRD4 P21917 4/20 0.56
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
ADRB2 P07550 1/20 0.56
CYP2D6 P10635 1/20 0.56
CASP1 P29466 1/20 0.56
LMNA P02545 2/20 0.55
MAPT P10636 1/20 0.55
HTR1D P28221 3/20 0.53
HTR1B P28222 3/20 0.53

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
Maleic Acid SCHEMBL11280479 0.89 ALDH1A1 (0.56) HTR1AFYNDRD2DRD3DRD4
SCHEMBL11275455 0.88 HTR1D (0.61) HTR1AFYNDRD2DRD3DRD4
SCHEMBL11268179 0.86 DRD2 (0.50) HTR1AFYNDRD2DRD3DRD4
SCHEMBL11264574 0.79 HTR1A (0.62) HTR1AFYNDRD2DRD3DRD4
SCHEMBL9359278 0.78 HTR1A (1.00) HTR1ADRD2DRD3DRD4MEN1
SCHEMBL11263133 0.78 DRD2 (0.55) HTR1AFYNDRD2DRD3DRD4
SCHEMBL11500383 0.77 HTR1D (0.47) HTR1AFYNDRD2DRD3MEN1
Hydrochloric Acid SCHEMBL29064041 0.77 HTR1A (0.97) HTR1ADRD2DRD3DRD4MEN1
SCHEMBL8486515 0.77 FYN (0.74) HTR1AFYNDRD2DRD3DRD4
SCHEMBL11203478 0.76 HTR1A (0.55) HTR1AFYNDRD2DRD3DRD4

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 7 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 claimed
US-4235776-A USED FOR TREATMENT OF PARKINSON'S DISEASE, PROLACTIN INHIBITORS, AND DOPAMINE AGONISTS ELI LILLY AND COMPANY (US) 1980-11-25 US claimed
EP-0014792-A1 Tetrahydro-2H-benzo(c)pyrroles, their preparation, pharmaceutical compositions containing them and the compounds for use as therapeuticals ELI LILLY AND COMPANY (US) 1980-09-03 EP claimed
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
EP-0014792-A1 Tetrahydro-2H-benzo(c)pyrroles, their preparation, pharmaceutical compositions containing them and the compounds for use as therapeuticals ELI LILLY AND COMPANY (US) 1980-09-03 EP disclosed