SCHEMBL27588982

SCHEMBL27588982

C1=C(CCCN2Sc3cccc4cccc2c34)CCN(c2ccc3[nH]ccc3c2)C1

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.37
DRD3 P35462 4/20 0.37
DRD4 P21917 2/20 0.37
HTR7 P34969 3/20 0.31
CHRM1 P11229 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL27570113 0.83 DRD2 (0.45) DRD2DRD3DRD4HTR7KCNH2
SCHEMBL6597607 0.80 HTR7 (0.49) DRD2DRD3DRD4HTR7KCNH2
SCHEMBL27588796 0.79 ACHE (0.38) DRD2DRD3DRD4HTR7
SCHEMBL7088347 0.77 DRD2 (0.41) DRD2DRD3DRD4HTR7KCNH2
SCHEMBL6599041 0.62 HTR7 (0.69) DRD2DRD3DRD4HTR7KCNH2
SCHEMBL7502808 0.61 ALDH1A1 (0.33)
SCHEMBL22371883 0.59 HEXA (0.44)
SCHEMBL6580508 0.59 DRD3 (0.60) DRD2DRD3DRD4HTR7CHRM1
SCHEMBL3340549 0.59 LTA4H (0.48) HTR7
SCHEMBL4309899 0.58 HTR7 (0.53) DRD2DRD3DRD4HTR7

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1446216-A Indole derivatives for the treatment of CNS disorders LUNDEBECK AS H (DK) 2003-10-01 CN claimed
CN-1446216-A Indole derivatives for the treatment of CNS disorders LUNDEBECK AS H (DK) 2003-10-01 CN disclosed