SCHEMBL24819829

SCHEMBL24819829

CC(C)c1nc2cc(CN[C@@H]3CCCC[C@H]3O)cc(C(F)(F)F)c2o1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 9/20 0.39
LTA4H P09960 3/20 0.33
CCR2 P41597 1/20 0.32
ALDH1A1 P00352 2/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
ALOX15 P16050 1/20 0.31
HTT P42858 1/20 0.31
MTNR1A P48039 1/20 0.31
MTNR1B P49286 1/20 0.31
PDCD1 Q15116 1/20 0.31
CD274 Q9NZQ7 1/20 0.31
KDM4E B2RXH2 1/20 0.31
IDH1 O75874 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC6 Q9UBN7 1/20 0.30
ACACB O00763 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
SCHEMBL24819815 1.00 TRPV3 (0.39) TRPV3LTA4HCCR2ALDH1A1GAA
SCHEMBL24819836 1.00 TRPV3 (0.39) TRPV3LTA4HCCR2ALDH1A1GAA
SCHEMBL24819835 1.00 TRPV3 (0.39) TRPV3LTA4HCCR2ALDH1A1GAA
SCHEMBL24819837 1.00 TRPV3 (0.39) TRPV3LTA4HCCR2ALDH1A1GAA
SCHEMBL24818414 0.94 ALDH1A1 (0.32) TRPV3ALDH1A1GAAMAPTALOX15
SCHEMBL24821771 0.91 TRPV3 (0.34) TRPV3LTA4HALDH1A1GAAMAPT
SCHEMBL24821763 0.91 TRPV3 (0.34) TRPV3LTA4HALDH1A1GAAMAPT
SCHEMBL24821770 0.91 TRPV3 (0.34) TRPV3LTA4HALDH1A1GAAMAPT
SCHEMBL24818514 0.89 ALDH1A1 (0.38) TRPV3LTA4HALDH1A1GAAMAPT
SCHEMBL24818506 0.89 ALDH1A1 (0.38) TRPV3LTA4HALDH1A1GAAMAPT

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-2022272248-A1 CBL-B MODULATORS AND USES THEREOF NIMBUS CLIO, INC. (US) 2022-12-29 WO disclosed