SCHEMBL7999028

SCHEMBL7999028

CCOc1ccc(CCCN2CCCC2)cc1CC

nearest known ligand 0.51

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 3/20 0.51
ALDH1A1 P00352 2/20 0.51
KDM4E B2RXH2 1/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HRH3 Q9Y5N1 3/20 0.46
SIGMAR1 Q99720 3/20 0.46
DRD2 P14416 1/20 0.46
SLC6A4 P31645 1/20 0.46
SLC6A3 Q01959 1/20 0.46
EBP Q15125 2/20 0.45
TMEM97 Q5BJF2 1/20 0.45
TSHR P16473 1/20 0.45
S1PR1 P21453 1/20 0.45
LTA4H P09960 1/20 0.44
HRH1 P35367 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
SCHEMBL19043653 0.88 SIGMAR1 (0.55) HRH3SIGMAR1EBPTMEM97
SCHEMBL19904416 0.86 ABCB1 (0.44) L3MBTL1HRH3SIGMAR1DRD2SLC6A4
SCHEMBL19904406 0.85 HRH3 (0.48) L3MBTL1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL19904479 0.85 HRH3 (0.45) HRH3SIGMAR1DRD2SLC6A4SLC6A3
SCHEMBL19904510 0.82 ABCB1 (0.43) L3MBTL1HRH3SIGMAR1DRD2SLC6A4
SCHEMBL19043072 0.81 ALDH1A1 (0.55) L3MBTL1ALDH1A1KDM4EHRH3SIGMAR1
SCHEMBL19904585 0.80 SIGMAR1 (0.40) L3MBTL1HRH3SIGMAR1DRD2SLC6A4
SCHEMBL20382554 0.80 HRH1 (0.53) HRH3SIGMAR1DRD2SLC6A4SLC6A3
SCHEMBL26015673 0.80 SIGMAR1 (0.48) L3MBTL1ALDH1A1KDM4EHRH3SIGMAR1
SCHEMBL20631739 0.76 SIGMAR1 (0.47) HRH3SIGMAR1DRD2SLC6A4SLC6A3

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-2009117150-A2 METHOD OF TREATING LUPUS WITH CERAMIDE DERIVATIVES GENZYME CORPORATION (US) 2009-09-24 WO disclosed