SCHEMBL8103034

SCHEMBL8103034

COc1ccccc1CCC1(F)CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.79
HTR1B P28222 20/20 0.79

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
SCHEMBL8111210 0.88 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8115828 0.87 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8102054 0.86 HTR1D (0.80) HTR1DHTR1B
SCHEMBL7471977 0.86 HTR1D (0.73) HTR1DHTR1B
SCHEMBL8117074 0.85 HTR1D (0.79) HTR1DHTR1B
SCHEMBL8111059 0.84 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7481703 0.83 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8110494 0.83 HTR1D (0.77) HTR1DHTR1B
SCHEMBL7479858 0.82 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7473182 0.82 HTR1D (1.00) 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
US-6048878-A Substituted piperidine derivatives as selective agonists of 5-HT receptors MERCK SHARP & DOHME LTD. (GB) 2000-04-11 US disclosed