SCHEMBL24820100

SCHEMBL24820100

CNc1cc(CN[C@@H]2CCC[C@@H]2O)ccc1O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.44
CD274 Q9NZQ7 11/20 0.41
PDCD1 Q15116 8/20 0.39
PDCD1LG2 Q9BQ51 2/20 0.38
ERCC1 P07992 1/20 0.36
ERCC4 Q92889 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HTR1A P08908 1/20 0.35
SSTR3 P32745 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
SCHEMBL24821928 0.77 ALDH1A1 (0.40) LTA4HCD274PDCD1HTR1A
SCHEMBL24820563 0.77 ALDH1A1 (0.40) LTA4HCD274PDCD1HTR1A
SCHEMBL22105522 0.72 SSTR3 (0.54) LTA4HCD274PDCD1PDCD1LG2SSTR3
SCHEMBL9791812 0.72 LTA4H (0.58) LTA4HCD274PDCD1PDCD1LG2
SCHEMBL13634413 0.72 LTA4H (0.58) LTA4HCD274PDCD1PDCD1LG2
SCHEMBL108594 0.72 ERCC1 (0.58) ERCC1ERCC4SSTR3
SCHEMBL15818134 0.72 LTA4H (0.58) LTA4HCD274PDCD1PDCD1LG2
SCHEMBL1847853 0.72 LTA4H (0.58) LTA4HCD274PDCD1PDCD1LG2
SCHEMBL8231045 0.72 ERCC1 (0.58) ERCC1ERCC4SSTR3
SCHEMBL139478 0.72 ERCC1 (0.58) ERCC1ERCC4SSTR3

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