SCHEMBL8660701

SCHEMBL8660701

CN(C)C(=O)CC(c1ccccc1)N1CCN(CCCc2c[nH]c3ccc(-n4cnnc4)cc23)CC1

nearest known ligand 0.78

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 20/20 0.78
HTR1B P28222 20/20 0.78

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
SCHEMBL8662050 0.89 HTR1D (0.78) HTR1DHTR1B
SCHEMBL7477123 0.88 HTR1D (0.80) HTR1DHTR1B
SCHEMBL7474119 0.86 HTR1D (0.72) HTR1DHTR1B
SCHEMBL7483602 0.85 HTR1D (0.87) HTR1DHTR1B
SCHEMBL8915888 0.85 HTR1D (1.00) HTR1DHTR1B
SCHEMBL8804887 0.85 HTR1D (0.89) HTR1DHTR1B
SCHEMBL7478281 0.85 HTR1D (0.79) HTR1DHTR1B
SCHEMBL7478699 0.85 HTR1D (1.00) HTR1DHTR1B
SCHEMBL7484414 0.84 HTR1D (0.81) HTR1DHTR1B
SCHEMBL8662337 0.83 HTR1D (0.81) 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