SCHEMBL3264444

SCHEMBL3264444

Cc1ccc2cccc(N3CCN(CCNC(=O)c4c[nH]c(-c5ccccc5)c4)CC3)c2n1

nearest known ligand 0.61

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 7/20 0.61
HTR2C P28335 6/20 0.61
SLC6A4 P31645 6/20 0.61
HTR1A P08908 5/20 0.49
DRD2 P14416 3/20 0.49
ADRA2A P08913 1/20 0.49
DRD3 P35462 3/20 0.48
DRD4 P21917 1/20 0.47
ADRA1A P35348 2/20 0.47
HSD17B10 Q99714 1/20 0.46

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
SCHEMBL2214196 0.80 HTR2A (0.90) HTR2AHTR2CSLC6A4HTR1ADRD2
SCHEMBL1077853 0.76 HTR2A (0.72) HTR2AHTR2CSLC6A4HTR1ADRD2
SCHEMBL2215606 0.76 HTR2A (1.00) HTR2AHTR2CSLC6A4HTR1ADRD2
SCHEMBL2215980 0.76 SLC6A4 (0.75) HTR2AHTR2CSLC6A4HTR1ADRD2
SCHEMBL2214253 0.75 HTR2A (0.73) HTR2AHTR2CSLC6A4HTR1ADRD2
SCHEMBL13399564 0.74 HTR2A (0.54) HTR2AHTR2CSLC6A4HTR1A
SCHEMBL2214829 0.73 HTR2A (0.83) HTR2AHTR2CSLC6A4HTR1ADRD2
SCHEMBL2215751 0.70 HTR2A (0.90) HTR2AHTR2CSLC6A4HTR1ADRD2
SCHEMBL13398559 0.69 HTR2A (0.60) HTR2AHTR2CSLC6A4DRD2DRD3
SCHEMBL15376096 0.69 CYP1A2 (0.66)

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