SCHEMBL26015673

SCHEMBL26015673

CCOc1ccc(CCCN2CCCC2)cc1C(C)(C)F

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.48
ALDH1A1 P00352 3/20 0.47
L3MBTL1 Q9Y468 2/20 0.47
DRD2 P14416 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
KDM4E B2RXH2 1/20 0.43
RECQL P46063 1/20 0.43
HRH3 Q9Y5N1 4/20 0.42
S1PR1 P21453 1/20 0.42
EBP Q15125 2/20 0.42
TMEM97 Q5BJF2 1/20 0.42
HTT P42858 1/20 0.42
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
SCHEMBL7999028 0.80 L3MBTL1 (0.51) SIGMAR1ALDH1A1L3MBTL1DRD2SLC6A4
SCHEMBL19043072 0.77 ALDH1A1 (0.55) SIGMAR1ALDH1A1L3MBTL1DRD2SLC6A4
SCHEMBL24045414 0.72 LTA4H (0.57) SIGMAR1ALDH1A1L3MBTL1DRD2SLC6A4
SCHEMBL22813479 0.72 SIGMAR1 (0.50) SIGMAR1DRD2SLC6A4SLC6A3KDM4E
SCHEMBL16695075 0.72 SIGMAR1 (0.52) SIGMAR1DRD2SLC6A4SLC6A3HRH3
SCHEMBL7923062 0.72 SIGMAR1 (0.72) SIGMAR1EBPTMEM97
SCHEMBL19904406 0.71 HRH3 (0.48) SIGMAR1ALDH1A1L3MBTL1DRD2SLC6A4
SCHEMBL7922224 0.71 SIGMAR1 (0.56) SIGMAR1DRD2SLC6A4SLC6A3EBP
SCHEMBL16595241 0.71 SIGMAR1 (0.53) SIGMAR1DRD2SLC6A4SLC6A3HRH3
SCHEMBL19043653 0.70 SIGMAR1 (0.55) SIGMAR1HRH3EBPTMEM97

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
EP-4048397-B1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THERAPEUTIC APPLICATIONS UNIV MICHIGAN REGENTS (US) 2023-08-16 EP disclosed