SCHEMBL8336283

SCHEMBL8336283

c1cn(-c2ccc3[nH]cc(CCCN4CCNCC4)c3c2)nn1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 18/20 0.70
HTR1B P28222 18/20 0.70
HTR1A P08908 2/20 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
SCHEMBL8151636 0.83 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8805258 0.81 HTR1D (0.70) HTR1DHTR1BHTR1A
SCHEMBL8333324 0.80 HTR1D (0.63) HTR1DHTR1BHTR1A
SCHEMBL9047205 0.76 HTR1A (0.85) HTR1DHTR1BHTR1A
SCHEMBL8984395 0.76 HTR1D (0.87) HTR1DHTR1B
SCHEMBL1377300 0.76 HTR1A (0.83) HTR1DHTR1BHTR1A
SCHEMBL30468393 0.74 HTR1A (0.67) HTR1DHTR1BHTR1A
SCHEMBL17249759 0.74 HTR1A (0.67) HTR1DHTR1BHTR1A
SCHEMBL739944 0.73 HTR1A (0.79) HTR1DHTR1BHTR1A
SCHEMBL28178875 0.72 HTR1A (0.76) HTR1DHTR1BHTR1A

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-5981529-A Substituted indolylpropyl-piperazine derivatives as 5-HT1D α agonists MERCK SHARP & DOHME LIMITED (GB) 1999-11-09 US disclosed