SCHEMBL23996514

SCHEMBL23996514

OC[C@H]1CC(O)[C@@H](O)CN1CC1CCCN(c2nc(C(F)(F)F)cs2)C1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ LCAT P04180 2/20 0.35
▸ CTSB P07858 1/20 0.34
▸ CTSS P25774 1/20 0.34
▸ CTSK P43235 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34
▸ OGA O60502 1/20 0.32
▸ PTGS1 P23219 1/20 0.32
▸ PTGS2 P35354 1/20 0.32
▸ KHK P50053 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ SPHK2 Q9NRA0 2/20 0.31
▸ SPHK1 Q9NYA1 2/20 0.31
▸ PIM1 P11309 1/20 0.30

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
SCHEMBL23996509 0.94 LCAT (0.37) LCATCTSBCTSSCTSKKCNH2
SCHEMBL23996530 0.84 GBA1 (0.36) LCAT
SCHEMBL23996561 0.84 GBA1 (0.36) LCAT
SCHEMBL23996513 0.84 GBA1 (0.36) LCAT
SCHEMBL23996553 0.84 GBA1 (0.36) LCAT
SCHEMBL22657695 0.81 LCAT (0.35) LCATCTSBCTSSCTSKKCNH2
SCHEMBL22657696 0.81 LCAT (0.35) LCATCTSBCTSSCTSKKCNH2
SCHEMBL22657525 0.81 LCAT (0.35) LCATCTSBCTSSCTSKKCNH2
SCHEMBL22657486 0.81 LCAT (0.35) LCATCTSBCTSSCTSKKCNH2
SCHEMBL22657490 0.81 LCAT (0.35) LCATCTSBCTSSCTSKKCNH2

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-2021224865-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2021-11-11 — — WO disclosed
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