SCHEMBL24008581

SCHEMBL24008581

OC1CCN(CC2CCCN(c3nc(C(F)(F)F)cs3)C2)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LCAT P04180 2/20 0.38
▸ KCNH2 Q12809 2/20 0.37
▸ CTSB P07858 1/20 0.37
▸ CTSS P25774 1/20 0.37
▸ CTSK P43235 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ GLP1R P43220 3/20 0.33
▸ BRD4 O60885 1/20 0.33
▸ BRD2 P25440 1/20 0.33
▸ BRD3 Q15059 1/20 0.33
▸ BRDT Q58F21 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ OGA O60502 1/20 0.33
▸ CCR2 P41597 1/20 0.33
▸ CCNE2 O96020 1/20 0.33
▸ CCNE1 P24864 1/20 0.33
▸ CDK2 P24941 1/20 0.33
▸ MEN1 O00255 2/20 0.32
▸ KMT2A Q03164 2/20 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
SCHEMBL24008575 0.93 LCAT (0.41) LCATKCNH2CTSBCTSSCTSK
SCHEMBL30287704 0.88 LCAT (0.38) LCATKCNH2CTSBCTSSCTSK
SCHEMBL24008489 0.88 LCAT (0.38) LCATKCNH2CTSBCTSSCTSK
SCHEMBL24008444 0.88 LCAT (0.38) LCATKCNH2CTSBCTSSCTSK
SCHEMBL30287747 0.88 LCAT (0.38) LCATKCNH2CTSBCTSSCTSK
SCHEMBL22668724 0.83 LCAT (0.35) LCATKCNH2CTSBCTSSCTSK
SCHEMBL24008942 0.82 LCAT (0.40) LCATKCNH2CTSBCTSSCTSK
SCHEMBL30287689 0.81 LCAT (0.41) LCATKCNH2CTSBCTSSCTSK
SCHEMBL24008578 0.81 LCAT (0.41) LCATKCNH2CTSBCTSSCTSK
SCHEMBL30287722 0.81 LCAT (0.41) LCATKCNH2CTSBCTSSCTSK

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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