SCHEMBL24819802

SCHEMBL24819802

Cc1nc2cc(CN[C@@H]3CCC[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
CD274 Q9NZQ7 3/20 0.34
LTA4H P09960 3/20 0.34
PDCD1LG2 Q9BQ51 2/20 0.34
HTR1A P08908 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
PDCD1 Q15116 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
TNF P01375 1/20 0.32
IL1B P01584 1/20 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
SCHEMBL24819811 1.00 TRPV3 (0.39) TRPV3CD274LTA4HPDCD1LG2HTR1A
SCHEMBL24819781 1.00 TRPV3 (0.39) TRPV3CD274LTA4HPDCD1LG2HTR1A
SCHEMBL24819817 1.00 TRPV3 (0.39) TRPV3CD274LTA4HPDCD1LG2HTR1A
SCHEMBL24819795 1.00 TRPV3 (0.39) TRPV3CD274LTA4HPDCD1LG2HTR1A
SCHEMBL24819815 0.85 TRPV3 (0.39) TRPV3CD274LTA4HMTNR1AMTNR1B
SCHEMBL24819836 0.85 TRPV3 (0.39) TRPV3CD274LTA4HMTNR1AMTNR1B
SCHEMBL24819837 0.85 TRPV3 (0.39) TRPV3CD274LTA4HMTNR1AMTNR1B
SCHEMBL24819835 0.85 TRPV3 (0.39) TRPV3CD274LTA4HMTNR1AMTNR1B
SCHEMBL24819829 0.85 TRPV3 (0.39) TRPV3CD274LTA4HMTNR1AMTNR1B
SCHEMBL24818456 0.80 TSHR (0.38) ALDH1A1

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