SCHEMBL23996509

SCHEMBL23996509

OC[C@H]1CC(O)[C@@H](O)CN1CC1CCN(c2nc(C(F)(F)F)cs2)C1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ LCAT P04180 2/20 0.37
▸ CTSB P07858 1/20 0.33
▸ CTSS P25774 1/20 0.33
▸ CTSK P43235 1/20 0.33
▸ KCNH2 Q12809 1/20 0.33
▸ OGA O60502 1/20 0.33
▸ SPHK2 Q9NRA0 1/20 0.31
▸ SPHK1 Q9NYA1 1/20 0.31
▸ PIM1 P11309 1/20 0.31
▸ CCR2 P41597 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
SCHEMBL23996514 0.94 LCAT (0.35) LCATCTSBCTSSCTSKKCNH2
SCHEMBL25420582 0.84 LCAT (0.37) LCAT
SCHEMBL23996736 0.84 LCAT (0.37) LCAT
SCHEMBL23996726 0.84 LCAT (0.37) LCAT
SCHEMBL23996507 0.84 LCAT (0.37) LCAT
SCHEMBL25420471 0.84 LCAT (0.37) LCAT
SCHEMBL25420477 0.84 LCAT (0.37) LCAT
SCHEMBL25420474 0.84 LCAT (0.37) LCAT
SCHEMBL25420579 0.84 LCAT (0.37) LCAT
SCHEMBL23996511 0.84 LCAT (0.37) LCAT

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
Send feedback