SCHEMBL13399564

SCHEMBL13399564

Cc1ccc2cccc(N3CCN(CCNC(=O)C4C=C(c5ccccc5)N(C)C4C)CC3)c2n1

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 12/20 0.54
HTR2C P28335 12/20 0.54
SLC6A4 P31645 12/20 0.54
HTR1A P08908 1/20 0.42

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
SCHEMBL13398559 0.95 HTR2A (0.60) HTR2AHTR2CSLC6A4
SCHEMBL13399068 0.89 HTR2A (0.53) HTR2AHTR2CSLC6A4HTR1A
SCHEMBL13399032 0.86 HTR2A (0.57) HTR2AHTR2CSLC6A4HTR1A
SCHEMBL13398818 0.86 HTR2A (0.47) HTR2AHTR2CSLC6A4HTR1A
SCHEMBL13399524 0.84 HTR2A (0.59) HTR2AHTR2CSLC6A4HTR1A
SCHEMBL13398761 0.83 HTR2A (0.57) HTR2AHTR2CSLC6A4
SCHEMBL13398809 0.80 SLC6A4 (0.47) HTR2AHTR2CSLC6A4
SCHEMBL13399233 0.79 HTR2A (0.59) HTR2AHTR2CSLC6A4HTR1A
SCHEMBL13398688 0.78 SLC6A4 (0.56) HTR2AHTR2CSLC6A4HTR1A
SCHEMBL13398752 0.76 HTR2A (0.52) HTR2AHTR2CSLC6A4

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-2010038948-A2 ARYLPIPERAZINE-CONTAINING PYRROLE 3-CARBOXAMIDE DERIVATIVES FOR TREATING DEPRESSIVE DISORDERS GREEN CROSS CORPORATION (KR) 2010-04-08 WO disclosed