SCHEMBL8662069

SCHEMBL8662069

Nc1ccc(CC2CCCCN2CCCc2c[nH]c3ccc(-n4cnnc4)cc23)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
SCHEMBL8660733 0.86 HTR1D (0.70) HTR1DHTR1B
SCHEMBL8662066 0.83 HTR1D (0.83) HTR1DHTR1B
SCHEMBL7478079 0.80 HTR1D (0.82) HTR1DHTR1B
SCHEMBL7475520 0.79 HTR1D (0.84) HTR1DHTR1B
SCHEMBL8661963 0.78 HTR1D (0.58) HTR1DHTR1B
SCHEMBL7804051 0.78 HTR1D (0.73) HTR1DHTR1B
SCHEMBL8660677 0.75 HTR1D (0.56) HTR1DHTR1B
SCHEMBL27700473 0.75 HTR1D (0.60) HTR1DHTR1B
SCHEMBL8657524 0.75 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7808656 0.75 GABRP (0.65) 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