SCHEMBL8661968

SCHEMBL8661968

Nc1ccc(CC(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)N2CCNCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.60
HTR1B P28222 20/20 0.60

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
SCHEMBL8664623 0.95 HTR1D (0.64) HTR1DHTR1B
SCHEMBL8411444 0.91 HTR1D (0.62) HTR1DHTR1B
SCHEMBL8699651 0.90 HTR1D (0.64) HTR1DHTR1B
SCHEMBL8411688 0.88 HTR1D (0.63) HTR1DHTR1B
SCHEMBL8410890 0.88 HTR1D (0.62) HTR1DHTR1B
SCHEMBL8664209 0.87 HTR1D (0.56) HTR1DHTR1B
SCHEMBL8413947 0.85 HTR1D (0.64) HTR1DHTR1B
SCHEMBL8660434 0.85 HTR1D (0.66) HTR1DHTR1B
SCHEMBL8414669 0.83 HTR1D (0.63) HTR1DHTR1B
SCHEMBL8412878 0.83 HTR1D (0.55) 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