SCHEMBL24820336

SCHEMBL24820336

Cc1nc2cc(CNC3CCCC3O)cc(C(F)(F)F)c2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TRPV3 Q8NET8 9/20 0.39
CD274 Q9NZQ7 5/20 0.34
PDCD1LG2 Q9BQ51 2/20 0.34
PDCD1 Q15116 2/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ALOX15 P16050 1/20 0.33
HTT P42858 1/20 0.33
LTA4H P09960 2/20 0.32
TNF P01375 1/20 0.32
IL1B P01584 1/20 0.32
HTR1A P08908 1/20 0.31

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
SCHEMBL24820339 1.00 TRPV3 (0.39) TRPV3CD274PDCD1LG2PDCD1PDE3B
SCHEMBL24820331 1.00 TRPV3 (0.39) TRPV3CD274PDCD1LG2PDCD1PDE3B
SCHEMBL24820333 1.00 TRPV3 (0.39) TRPV3CD274PDCD1LG2PDCD1PDE3B
SCHEMBL24819817 0.79 TRPV3 (0.39) TRPV3CD274PDCD1LG2PDCD1PDE3B
SCHEMBL24819811 0.79 TRPV3 (0.39) TRPV3CD274PDCD1LG2PDCD1PDE3B
SCHEMBL24819795 0.79 TRPV3 (0.39) TRPV3CD274PDCD1LG2PDCD1PDE3B
SCHEMBL24819802 0.79 TRPV3 (0.39) TRPV3CD274PDCD1LG2PDCD1PDE3B
SCHEMBL24819781 0.79 TRPV3 (0.39) TRPV3CD274PDCD1LG2PDCD1PDE3B
SCHEMBL24818520 0.77 CD274 (0.41) TRPV3CD274PDCD1LG2PDCD1LTA4H
SCHEMBL24820330 0.76 MAPT (0.37) ALDH1A1GAAMAPT

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