SCHEMBL8399434

SCHEMBL8399434

CC(c1ccccc1)N1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1=O

nearest known ligand 0.75

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.75
HTR1B P28222 20/20 0.75

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
SCHEMBL8403541 0.87 HTR1D (0.79) HTR1DHTR1B
SCHEMBL8915888 0.86 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8399430 0.84 HTR1D (0.79) HTR1DHTR1B
SCHEMBL8334690 0.83 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7473252 0.82 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7479599 0.82 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8072904 0.80 HTR1D (0.68) HTR1DHTR1B
SCHEMBL8072907 0.80 HTR1D (0.68) HTR1DHTR1B
SCHEMBL8072917 0.79 HTR1D (0.71) HTR1DHTR1B
SCHEMBL8072913 0.79 HTR1D (0.71) 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-5998415-A Bicyclic heteroaryl-alkylene-(homo)piperazinones and thione analogues thereof, their preparation, and their use of as selective agonists of 5-HT1 -like receptors MERCK SHARP & DOHME LTD. (GB) 1999-12-07 US disclosed