SCHEMBL8631771

SCHEMBL8631771

CCCN(CCC)C1Cc2n[nH]c3ccc(Br)c(c23)C1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.43
HTR1D P28221 12/20 0.42
HTR1B P28222 10/20 0.42
HTR1A P08908 2/20 0.41
DRD3 P35462 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
SCHEMBL8631128 0.83 HTR1D (0.35) HTR1DHTR1BHTR1A
SCHEMBL8631158 0.83 DRD2 (0.46) HTR1DHTR1BDRD3
SCHEMBL8627569 0.83 HTR1D (0.51) FYNHTR1DHTR1BHTR1A
SCHEMBL8628458 0.81 HTR1A (0.64) FYNHTR1DHTR1BHTR1A
SCHEMBL8631978 0.81 HTR1A (0.53) FYNHTR1DHTR1BHTR1A
SCHEMBL8629596 0.80 HTR1A (0.52) FYNHTR1DHTR1BHTR1A
SCHEMBL8629668 0.79 HTR1D (0.42) FYNHTR1DHTR1BHTR1A
SCHEMBL8629769 0.78 HTR1A (0.50) FYNHTR1DHTR1BHTR1ADRD3
SCHEMBL8632349 0.78 FYN (0.37) FYNHTR1DHTR1BHTR1A
SCHEMBL8632369 0.77 DRD3 (0.39) FYNHTR1DHTR1BHTR1ADRD3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-7309842-A None JP disclosed
EP-0683155-B1 Tetrahydrobenz cd indoles with serotonin regulatory activity LILLY CO ELI (US) 1998-07-01 EP disclosed
JP-H07309842-A TETRAHYDROBENZ(CD)INDAZOLES ELI LILLY & CO 1995-11-28 JP disclosed
EP-0683155-A1 Tetrahydrobenz cd indoles with serotonin regulatory activity ELI LILLY AND COMPANY (US) 1995-11-22 EP disclosed
US-5385928-A Antiserotonine agent ELI LILLY AND COMPANY (US) 1995-01-31 US disclosed