SCHEMBL24045407

SCHEMBL24045407

COc1ccc([C@H](O)CCN2CCCC2)cc1F

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 7/20 0.51
KDM4E B2RXH2 2/20 0.47
MAPK1 P28482 2/20 0.47
MAPT P10636 1/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
LMNA P02545 1/20 0.47
UGCG Q16739 1/20 0.46
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
HTR2C P28335 1/20 0.44
HTT P42858 1/20 0.43
TDP1 Q9NUW8 1/20 0.43

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
SCHEMBL7998697 0.85 HTR1A (0.52) HTR1AKDM4EMAPK1MAPTMEN1
SCHEMBL16596083 0.84 GRIN2B (0.45) MEN1KMT2AUGCGSLC6A4
SCHEMBL21122987 0.84 GRIN2B (0.45) MEN1KMT2AUGCGSLC6A4
SCHEMBL7995727 0.82 ALDH1A1 (0.45) HTR1AMEN1KMT2ALMNASLC6A4
SCHEMBL21729342 0.82 SMN1; SMN2 (0.51) HTR1AKDM4EMAPK1MAPTMEN1
SCHEMBL18069816 0.81 GRIN2B (0.45) MEN1KMT2AUGCGSLC6A4
SCHEMBL15133703 0.79 PDE4D (0.53) MAPK1MEN1KMT2ALMNAHTT
SCHEMBL13108748 0.78 KDM4E (0.59) HTR1AKDM4EMAPK1MAPTMEN1
SCHEMBL25180903 0.77 CYP3A4 (0.43) MAPK1MEN1KMT2ALMNAHTT
SCHEMBL13342872 0.77 HTR1A (0.65) HTR1AKDM4EMAPK1MAPTMEN1

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-3912977-A1 GLUCOSYLCERAMIDE SYNTHASE INHIBITORS FOR THE TREATMENT OF DISEASES BioMarin Pharmaceutical Inc. (US) 2021-11-24 EP disclosed