SCHEMBL22668993

SCHEMBL22668993

CC1CC(O)CCN1CC1CCN(c2nc(C(F)(F)F)cs2)C1

nearest known ligand 0.42

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LCAT P04180 2/20 0.38
▸ KHK P50053 2/20 0.36
▸ CXCR3 P49682 6/20 0.34
▸ 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
▸ SCD O00767 1/20 0.33
▸ LMNA P02545 1/20 0.32
▸ CCR2 P41597 1/20 0.30
▸ SPHK2 Q9NRA0 1/20 0.30
▸ SPHK1 Q9NYA1 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
SCHEMBL22668724 0.94 LCAT (0.35) LCATKHKCXCR3CTSBCTSS
SCHEMBL24008575 0.82 LCAT (0.41) LCATKHKCTSBCTSSCTSK
SCHEMBL22668909 0.81 LCAT (0.38) LCATKHKCXCR3CTSBCTSS
SCHEMBL22657593 0.81 LCAT (0.38) LCATKHKCXCR3CTSBCTSS
SCHEMBL22657591 0.81 LCAT (0.38) LCATKHKCXCR3CTSBCTSS
SCHEMBL23996509 0.78 LCAT (0.37) LCATCTSBCTSSCTSKKCNH2
SCHEMBL30287689 0.77 LCAT (0.41) LCATKHKCXCR3CTSBCTSS
SCHEMBL24008578 0.77 LCAT (0.41) LCATKHKCXCR3CTSBCTSS
SCHEMBL30287722 0.77 LCAT (0.41) LCATKHKCXCR3CTSBCTSS
SCHEMBL26778003 0.77 LCAT (0.41) LCATKHKCXCR3CTSBCTSS

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-2020229968-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2020-11-19 — — WO disclosed
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