SCHEMBL7684659

SCHEMBL7684659

Cc1ccc(C)c(N2CCN(CCCN3C(C)(C)c4ccccc4S3(=O)=O)CC2)c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
DRD4 P21917 4/20 0.45
DRD2 P14416 3/20 0.45
DRD3 P35462 3/20 0.45
TP53 P04637 4/20 0.44
HTR1A P08908 1/20 0.44
ADRA1A P35348 1/20 0.44
ADRA1B P35368 1/20 0.44
MAPT P10636 6/20 0.42
POLB P06746 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
ALDH1A1 P00352 2/20 0.41
HTT P42858 2/20 0.41
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
TSHR P16473 1/20 0.41

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
SCHEMBL7686993 0.79 DRD2 (0.46) DRD4DRD2DRD3HTR1A
SCHEMBL7683751 0.79 HTR1A (0.57) DRD4DRD2DRD3HTR1AADRA1A
SCHEMBL7686048 0.79 HTR7 (0.42) DRD2HTR1A
SCHEMBL7686952 0.78 ALDH1A1 (0.51) MEN1KMT2ADRD2DRD3TP53
SCHEMBL7686047 0.76 HTR1A (0.57) DRD2DRD3HTR1AALDH1A1
SCHEMBL7687016 0.74 HTR1A (0.53) DRD2DRD3HTR1AADRA1AADRA1B
SCHEMBL7685522 0.74 HTR7 (0.48) DRD4DRD2DRD3HTR1AADRA1A
SCHEMBL7683519 0.73 DRD2 (0.43) DRD2HTR1AADRA1AADRA1B
SCHEMBL7683742 0.72 DRD2 (0.48) DRD2DRD3HTR1A
SCHEMBL7686113 0.71 LMNA (0.51) MEN1KMT2ATP53MAPTSMN1; SMN2

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