SCHEMBL24008575

SCHEMBL24008575

OC1CCN(CC2CCN(c3nc(C(F)(F)F)cs3)C2)CC1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ LCAT P04180 2/20 0.41
▸ CTSB P07858 1/20 0.36
▸ CTSS P25774 1/20 0.36
▸ CTSK P43235 1/20 0.36
▸ KCNH2 Q12809 1/20 0.36
▸ OGA O60502 1/20 0.34
▸ BAZ2A Q9UIF9 1/20 0.34
▸ IDH2 P48735 5/20 0.33
▸ LMNA P02545 1/20 0.33
▸ KHK P50053 1/20 0.33
▸ PIM1 P11309 1/20 0.32
▸ BRD4 O60885 1/20 0.32
▸ BRD2 P25440 1/20 0.32
▸ BRD3 Q15059 1/20 0.32
▸ BRDT Q58F21 1/20 0.32
▸ SCD O00767 1/20 0.32

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
SCHEMBL24008581 0.93 LCAT (0.38) LCATCTSBCTSSCTSKKCNH2
SCHEMBL24008942 0.88 LCAT (0.40) LCATCTSBCTSSCTSKKCNH2
SCHEMBL30287722 0.87 LCAT (0.41) LCATCTSBCTSSCTSKKCNH2
SCHEMBL24008578 0.87 LCAT (0.41) LCATCTSBCTSSCTSKKCNH2
SCHEMBL26778003 0.87 LCAT (0.41) LCATCTSBCTSSCTSKKCNH2
SCHEMBL30287689 0.87 LCAT (0.41) LCATCTSBCTSSCTSKKCNH2
SCHEMBL22668993 0.82 LCAT (0.38) LCATCTSBCTSSCTSKKCNH2
SCHEMBL30287704 0.81 LCAT (0.38) LCATCTSBCTSSCTSKKCNH2
SCHEMBL24008489 0.81 LCAT (0.38) LCATCTSBCTSSCTSKKCNH2
SCHEMBL24008444 0.81 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-2021224864-A1 NON-LYSOSOMAL GLUCOSYLCERAMIDASE INHIBITORS AND USES THEREOF ALECTOS THERAPEUTICS INC. (CA) 2021-11-11 — — WO disclosed
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