SCHEMBL9755468

SCHEMBL9755468

CCCN(C(=O)CC1CC1)C1CCc2ccc3[nH]ccc3c2C1

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 15/20 0.66
HTR1B P28222 11/20 0.66
HTR1A P08908 4/20 0.51
DRD2 P14416 2/20 0.51

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
SCHEMBL8887467 0.85 HTR1D (0.69) HTR1DHTR1BHTR1ADRD2
SCHEMBL8886099 0.82 HTR1D (0.69) HTR1DHTR1BHTR1ADRD2
SCHEMBL8315482 0.80 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8316283 0.80 HTR1D (1.00) HTR1DHTR1BHTR1ADRD2
SCHEMBL7435894 0.75 HTR1D (0.60) HTR1DHTR1BHTR1ADRD2
SCHEMBL8315256 0.74 HTR1D (1.00) HTR1DHTR1B
SCHEMBL3201298 0.73 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8314164 0.73 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8316440 0.73 HTR1D (1.00) HTR1DHTR1BDRD2
SCHEMBL7442744 0.72 HTR1D (0.81) HTR1DHTR1B

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
WO-1991011435-A2 NEW CENTRALLY ACTING 6,7,8,9-TETRAHYDRO-3H-BENZ(e)INDOLE HETEROCYCLICS THE UPJOHN COMPANY (US) 1991-08-08 WO disclosed