SCHEMBL24075449

SCHEMBL24075449

CCc1nocc1C(=O)NC[C@H]1CC[C@H](C)CC1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.41
NPC1 O15118 2/20 0.39
HIF1A Q16665 1/20 0.38
HDAC4 P56524 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
MAPK14 Q16539 2/20 0.36
CNR1 P21554 2/20 0.36
NSD2 O96028 1/20 0.36
CNR2 P34972 2/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 1/20 0.36
MLLT1 Q03111 1/20 0.36
PIM1 P11309 1/20 0.35
PIM2 Q9P1W9 1/20 0.35
ACACB O00763 1/20 0.35
ACACA Q13085 1/20 0.35

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
SCHEMBL24071902 1.00 AR (0.41) ARNPC1HIF1AHDAC4HDAC6
SCHEMBL24071905 0.88 NPC1 (0.48) NPC1HDAC6CNR1
SCHEMBL24071896 0.88 NPC1 (0.48) NPC1HDAC6CNR1
SCHEMBL24076019 0.84 AR (0.53) ARNPC1HIF1AMAPK14CNR1
SCHEMBL24072292 0.84 AR (0.53) ARNPC1HIF1AMAPK14CNR1
SCHEMBL24075450 0.84 P2RX7 (0.42) AR
SCHEMBL24076113 0.81 AR (0.40) ARHIF1ANSD2CNR2KDM4E
SCHEMBL24072743 0.81 AR (0.40) ARHIF1AHDAC4HDAC6MAPK14
SCHEMBL24071934 0.80 HDAC4 (0.43) ARHDAC4HDAC6CNR2
SCHEMBL24076486 0.80 HDAC4 (0.43) ARHDAC4HDAC6CNR2

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-2021239743-A1 IL-17A MODULATORS SANOFI (FR) 2021-12-02 WO disclosed