SCHEMBL6919552

SCHEMBL6919552

CCOC(=O)Oc1csc(N2CCN(CCCCc3c[nH]c4ccc(C#N)cc34)CC2)n1

nearest known ligand 0.70

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.70

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
SCHEMBL7160095 0.90 HTR1A (0.63) HTR1A
SCHEMBL6919604 0.89 HTR1A (0.67) HTR1A
SCHEMBL7157615 0.87 HTR1A (0.58) HTR1A
SCHEMBL6819884 0.83 HTR1A (0.69) HTR1A
SCHEMBL6819734 0.83 HTR1A (0.69) HTR1A
SCHEMBL16433155 0.82 HTR1A (1.00) HTR1A
SCHEMBL22369365 0.81 HTR1A (0.79) HTR1A
SCHEMBL16433314 0.80 HTR1A (1.00) HTR1A
SCHEMBL6920034 0.79 HTR1A (0.66) HTR1A
SCHEMBL6819326 0.78 HTR1A (0.65) 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-2004041815-A1 INDOLE DERIVATIVE WITH 5HT1A AFFINITY MERCK PATENT GMBH (DE) 2004-05-21 WO disclosed