SCHEMBL22668724

SCHEMBL22668724

CC1CC(O)CCN1CC1CCCN(c2nc(C(F)(F)F)cs2)C1

nearest known ligand 0.40

Predicted protein targets (top 16)

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
▸ CXCR3 P49682 5/20 0.33
▸ OGA O60502 1/20 0.32
▸ KHK P50053 3/20 0.31
▸ LMNA P02545 1/20 0.31
▸ DNM1L O00429 1/20 0.31
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ SCD O00767 1/20 0.30
▸ CCNE2 O96020 1/20 0.30
▸ CCNE1 P24864 1/20 0.30
▸ CDK2 P24941 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
SCHEMBL22668993 0.94 LCAT (0.38) LCATCTSBCTSSCTSKKCNH2
SCHEMBL24008581 0.83 LCAT (0.38) LCATCTSBCTSSCTSKKCNH2
SCHEMBL22657525 0.82 LCAT (0.35) LCATCTSBCTSSCTSKKCNH2
SCHEMBL22657696 0.82 LCAT (0.35) LCATCTSBCTSSCTSKKCNH2
SCHEMBL22657695 0.82 LCAT (0.35) LCATCTSBCTSSCTSKKCNH2
SCHEMBL22657486 0.82 LCAT (0.35) LCATCTSBCTSSCTSKKCNH2
SCHEMBL22657490 0.82 LCAT (0.35) LCATCTSBCTSSCTSKKCNH2
SCHEMBL22668743 0.81 DRD2 (0.40) —
SCHEMBL23996514 0.79 LCAT (0.35) LCATCTSBCTSSCTSKKCNH2
SCHEMBL24008444 0.78 LCAT (0.38) 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-2020229968-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2020-11-19 — — WO disclosed
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