SCHEMBL24072292

SCHEMBL24072292

Cc1nocc1C(=O)NCC1CCC(C)CC1

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.53
TAS1R3 Q7RTX0 4/20 0.47
TAS1R1 Q7RTX1 4/20 0.47
TAS1R2 Q8TE23 4/20 0.47
CHRNA4 P43681 2/20 0.44
STAT3 P40763 1/20 0.40
HIF1A Q16665 1/20 0.40
ACACB O00763 4/20 0.39
MAPK14 Q16539 2/20 0.38
CNR1 P21554 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
NSD2 O96028 1/20 0.37

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
SCHEMBL24076019 1.00 AR (0.53) ARTAS1R3TAS1R1TAS1R2CHRNA4
SCHEMBL24072704 0.88 AR (0.52) ARTAS1R3TAS1R1TAS1R2CNR1
SCHEMBL24072304 0.88 AR (0.52) ARTAS1R3TAS1R1TAS1R2CNR1
SCHEMBL24071902 0.84 AR (0.41) ARHIF1AACACBMAPK14CNR1
SCHEMBL24075449 0.84 AR (0.41) ARHIF1AACACBMAPK14CNR1
SCHEMBL24072743 0.83 AR (0.40) ARSTAT3HIF1AACACBMAPK14
SCHEMBL24076113 0.83 AR (0.40) ARHIF1ANSD2
SCHEMBL24071934 0.82 HDAC4 (0.43) AR
SCHEMBL24076486 0.82 HDAC4 (0.43) AR
SCHEMBL24076011 0.75 MCL1 (0.42) ARSTAT3HIF1AMAPK14CNR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2021239745-A1 IL-17A MODULATORS SANOFI (FR) 2021-12-02 WO disclosed
WO-2021239743-A1 IL-17A MODULATORS SANOFI (FR) 2021-12-02 WO disclosed