SCHEMBL17249673

SCHEMBL17249673

CCOC(=O)c1sc(Sc2ccc(N3CCN(CCCCc4c[nH]c5ccc(C#N)cc45)CC3)cc2)nc1C

nearest known ligand 0.76

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 13/20 0.76

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
SCHEMBL17249675 0.98 HTR1A (0.76) HTR1A
SCHEMBL17242213 0.92 HTR1A (0.65) HTR1A
SCHEMBL17242186 0.91 HTR1A (0.75) HTR1A
SCHEMBL17249667 0.89 HTR1A (0.75) HTR1A
SCHEMBL17242227 0.87 HTR1A (0.65) HTR1A
SCHEMBL17249506 0.87 HTR1A (0.77) HTR1A
SCHEMBL16433155 0.87 HTR1A (1.00) HTR1A
SCHEMBL17242184 0.87 HTR1A (0.73) HTR1A
SCHEMBL17249508 0.85 HTR1A (0.77) HTR1A
SCHEMBL16433314 0.84 HTR1A (1.00) HTR1A

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
WO-2015169180-A1 SUBSTITUTED PIPERAZINE COMPOUNDS AND METHODS AND USE THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2015-11-12 WO disclosed