SCHEMBL8662836

SCHEMBL8662836

c1[nH]c2cnc(-n3cnnc3)cc2c1CCCN1CCNCC1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.68
HTR1B P28222 20/20 0.68

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
SCHEMBL8664693 0.83 HTR1D (0.72) HTR1DHTR1B
SCHEMBL8662842 0.83 HTR1D (0.53) HTR1DHTR1B
SCHEMBL8151636 0.81 HTR1D (1.00) HTR1DHTR1B
Oxalic Acid SCHEMBL8660714 0.80 HTR1D (0.67) HTR1DHTR1B
SCHEMBL8804144 0.77 HTR1D (0.76) HTR1DHTR1B
SCHEMBL8984395 0.74 HTR1D (0.87) HTR1DHTR1B
SCHEMBL8660428 0.73 HPGD (0.49) HTR1DHTR1B
SCHEMBL9047205 0.72 HTR1A (0.85) HTR1DHTR1B
SCHEMBL1377300 0.71 HTR1A (0.83) HTR1DHTR1B
SCHEMBL30468393 0.70 HTR1A (0.67) 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-5807857-A Piperazine, piperidine and tetrahydropyridine derivative of indol-3-alkyl as 5-HT1D-α agonists MERCK SHARP & DOHME LTD. (GB) 1998-09-15 US disclosed