SCHEMBL8564279

SCHEMBL8564279

NCC1CN(Cc2ccccc2)CCN1CCCc1c[nH]c2ccc(-n3cnnc3)cc12

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.73
HTR1B P28222 20/20 0.73

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
SCHEMBL8564091 0.92 HTR1D (0.73) HTR1DHTR1B
Oxalic Acid SCHEMBL8569180 0.89 HTR1D (0.69) HTR1DHTR1B
SCHEMBL8566191 0.87 HTR1D (0.66) HTR1DHTR1B
Oxalic Acid SCHEMBL8565637 0.85 HTR1D (0.64) HTR1DHTR1B
SCHEMBL8567598 0.85 HTR1D (0.73) HTR1DHTR1B
SCHEMBL7474143 0.85 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8560267 0.83 HTR1D (0.70) HTR1DHTR1B
SCHEMBL7479104 0.82 HTR1D (0.80) HTR1DHTR1B
SCHEMBL7479099 0.82 HTR1D (0.80) HTR1DHTR1B
SCHEMBL8814329 0.82 HTR1D (0.80) 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-5849746-A Substituted 1,4-piperazine-heteroaryl derivatives as 5-HT1D receptor agonists MERCK SHARP & DOHME LTD. (GB) 1998-12-15 US disclosed