SCHEMBL8401583

SCHEMBL8401583

CCOC(=O)CNCCN(CCCc1c[nH]c2ccc(-n3cnnc3)cc12)Cc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.51
HTR1B P28222 20/20 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
SCHEMBL8401585 0.85 HTR1D (0.50) HTR1DHTR1B
SCHEMBL8402669 0.82 HTR1D (0.59) HTR1DHTR1B
SCHEMBL8399415 0.79 HTR1D (0.61) HTR1DHTR1B
SCHEMBL6945199 0.75 HTR1D (0.72) HTR1DHTR1B
SCHEMBL8662335 0.70 HTR1D (0.74) HTR1DHTR1B
SCHEMBL6936730 0.69 HTR1D (0.79) HTR1DHTR1B
SCHEMBL7480294 0.69 HTR1D (0.74) HTR1DHTR1B
SCHEMBL8662337 0.69 HTR1D (0.81) HTR1DHTR1B
SCHEMBL8560342 0.68 HTR1D (0.66) HTR1DHTR1B
SCHEMBL7559256 0.68 SMN1; SMN2 (0.67)

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