SCHEMBL21947702

SCHEMBL21947702

CCCCN1CCN(CC(=O)N2CCC(C)(CC)CC2)CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.39
S1PR1 P21453 2/20 0.38
S1PR3 Q99500 2/20 0.38
S1PR5 Q9H228 2/20 0.38
HRH2 P25021 4/20 0.37
HRH1 P35367 4/20 0.37
HSD17B10 Q99714 2/20 0.37
ALOX15 P16050 1/20 0.37
TSHR P16473 1/20 0.37
L3MBTL1 Q9Y468 3/20 0.36
GPR183 P32249 1/20 0.35
ALDH1A1 P00352 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
S1PR4 O95977 1/20 0.35
RECQL P46063 2/20 0.35
PKM P14618 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
MAPT P10636 1/20 0.34

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
SCHEMBL21947695 0.83 S1PR1 (0.37) GAAS1PR1S1PR3S1PR5HRH2
SCHEMBL24926154 0.83 S1PR1 (0.37) GAAS1PR1S1PR3S1PR5HRH2
SCHEMBL24927397 0.79 S1PR1 (0.39) GAAS1PR1S1PR3S1PR5HRH2
SCHEMBL3761047 0.75 GAA (0.43) GAAHRH2HRH1HSD17B10ALOX15
SCHEMBL13367218 0.73 GAA (0.57) GAAHSD17B10ALOX15TSHRL3MBTL1
SCHEMBL13804168 0.73 ALDH1A1 (0.48) TSHRL3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL24891066 0.72 GAA (0.38) GAAHRH2HRH1HSD17B10ALOX15
SCHEMBL24773181 0.72 HRH2 (0.53) GAAHRH2HRH1L3MBTL1GPR183
SCHEMBL3761133 0.71 SIGMAR1 (0.46) GAAALDH1A1RECQLPKMSMN1; SMN2
SCHEMBL3774581 0.71 GAA (0.47) GAAHSD17B10ALOX15TSHRL3MBTL1

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-2020081450-A1 BIFUNCTIONAL COMPOUNDS FOR DEGRADING BTK VIA UBIQUITIN PROTEOSOME PATHWAY NURIX THERAPEUTICS, INC. (US) 2020-04-23 WO disclosed