SCHEMBL7682473

SCHEMBL7682473

COc1ccc(N2CCN(CCN3C(C)(C)c4ccccc4S3(=O)=O)CC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.54
DRD2 P14416 3/20 0.54
HTR7 P34969 4/20 0.47
HSD17B10 Q99714 1/20 0.47
MAPT P10636 1/20 0.47
PKM P14618 1/20 0.47
HTR2A P28223 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
POLB P06746 1/20 0.45
MAPK1 P28482 1/20 0.45
DRD4 P21917 1/20 0.44
ADRB1 P08588 1/20 0.44
HTR2B P41595 1/20 0.44
SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL7687016 0.76 HTR1A (0.53) HTR1ADRD2HTR7HTR2A
SCHEMBL7685522 0.76 HTR7 (0.48) HTR1ADRD2HTR7DRD4
SCHEMBL7686952 0.76 ALDH1A1 (0.51) DRD2MAPTMEN1KMT2APOLB
SCHEMBL6987487 0.74 DRD2 (0.52) HTR1ADRD2HTR7HSD17B10HTR2A
SCHEMBL7683519 0.73 DRD2 (0.43) HTR1ADRD2HTR7HTR2A
SCHEMBL7675521 0.73 HRH4 (0.54) HTR1ADRD2MAPTPOLBMAPK1
SCHEMBL7683751 0.72 HTR1A (0.57) HTR1ADRD2HTR7HTR2ADRD4
SCHEMBL11822964 0.71 ADRA1A (0.71) HTR1ADRD2HTR7HTR2ADRD4
SCHEMBL7684659 0.69 MEN1 (0.54) HTR1ADRD2MAPTMEN1KMT2A
SCHEMBL7686047 0.69 HTR1A (0.57) HTR1ADRD2HTR7

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
US-6346622-B1 ENANTIOMORPHS AND ISOMERS ABBOTT LABORATORIES 2002-02-12 US disclosed