SCHEMBL9669337

SCHEMBL9669337

C=CCN(CCC)C1CCc2ccc3c(ccn3C=O)c2C1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 11/20 0.60
HTR1B P28222 11/20 0.56
DRD3 P35462 3/20 0.53
HTR1A P08908 3/20 0.46
DRD2 P14416 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
SCHEMBL9670304 0.92 DRD3 (0.62) HTR1DHTR1BDRD3HTR1ADRD2
SCHEMBL9668693 0.79 HTR6 (0.58) HTR1DHTR1BDRD3DRD2
SCHEMBL10972396 0.76 HTR1D (0.65) HTR1DHTR1BDRD3HTR1ADRD2
SCHEMBL8315256 0.75 HTR1D (1.00) HTR1DHTR1B
SCHEMBL9668655 0.74 DRD3 (0.40) HTR1DHTR1BDRD3HTR1ADRD2
SCHEMBL9670486 0.72 HTR1D (0.54) HTR1DHTR1BDRD3HTR1ADRD2
SCHEMBL8312983 0.72 HTR1B (1.00) HTR1DHTR1BHTR1A
SCHEMBL8893689 0.72 HTR1D (0.62) HTR1DHTR1BHTR1ADRD2
SCHEMBL8314594 0.71 HTR1D (0.53) HTR1DHTR1BDRD3HTR1ADRD2
SCHEMBL2599107 0.71 HTR1A (0.76) HTR1DHTR1BDRD3HTR1ADRD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0510068-A1 NEW CENTRALLY ACTING 6,7,8,9-TETRAHYDRO-3H-BENZ(e)INDOLE HETEROCYCLICS PHARMACIA & UPJOHN COMPANY (US) 1992-10-28 EP disclosed