SCHEMBL7686952

SCHEMBL7686952

Cc1cccc(N2CCN(CCN3C(C)(C)c4ccccc4S3(=O)=O)CC2)c1C

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.51
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
HPGD P15428 2/20 0.44
GAA P10253 1/20 0.44
TSHR P16473 1/20 0.43
MAPK1 P28482 1/20 0.43
DRD2 P14416 2/20 0.42
ADRA1A P35348 2/20 0.42
DRD3 P35462 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
MAPT P10636 2/20 0.41
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
ADRA1D P25100 1/20 0.41
ADRA1B P35368 1/20 0.41
KDM4E B2RXH2 1/20 0.41
POLB P06746 1/20 0.41
ABCB1 P08183 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
SCHEMBL7687016 0.85 HTR1A (0.53) DRD2ADRA1ADRD3ADRA1DADRA1B
SCHEMBL7683519 0.83 DRD2 (0.43) DRD2ADRA1AADRA1DADRA1B
SCHEMBL7685522 0.83 HTR7 (0.48) DRD2ADRA1ADRD3ADRA1DADRA1B
SCHEMBL7684659 0.78 MEN1 (0.54) ALDH1A1MEN1KMT2ATSHRMAPK1
SCHEMBL7686993 0.78 DRD2 (0.46) DRD2DRD3
SCHEMBL7682473 0.76 HTR1A (0.54) MEN1KMT2AMAPK1DRD2MAPT
SCHEMBL7686048 0.73 HTR7 (0.42) DRD2LMNAKDM4E
SCHEMBL7675521 0.73 HRH4 (0.54) ALDH1A1MAPK1DRD2ADRA1ADRD3
SCHEMBL7683751 0.72 HTR1A (0.57) ALDH1A1DRD2ADRA1ADRD3ADRA1D
SCHEMBL7677803 0.72 HTR7 (0.51) DRD2ADRA1ADRD3ADRA1DADRA1B

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