SCHEMBL23966874

SCHEMBL23966874

CCC/C=C(/O)c1cn(Cc2nc3cc(OCC4CC4)c(C(F)(F)F)cc3[nH]2)c2ccccc2c1=O

nearest known ligand 0.52

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 12/20 0.52
RBP4 P02753 5/20 0.35
TTR P02766 5/20 0.35
CACNA1H O95180 1/20 0.34
EGLN1 Q9GZT9 1/20 0.33

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
SCHEMBL23908922 0.89 S1PR2 (0.59) S1PR2RBP4TTREGLN1
SCHEMBL23914685 0.87 S1PR2 (0.54) S1PR2RBP4TTR
SCHEMBL23908933 0.77 S1PR2 (0.58) S1PR2
SCHEMBL23909004 0.77 S1PR2 (0.63) S1PR2RBP4TTREGLN1
SCHEMBL23914687 0.76 S1PR2 (0.52) S1PR2
SCHEMBL23915325 0.76 S1PR2 (0.58) S1PR2RBP4TTRCACNA1H
SCHEMBL23908800 0.69 S1PR2 (1.00) S1PR2
SCHEMBL23908833 0.66 S1PR2 (0.44) S1PR2
SCHEMBL23913415 0.66 S1PR2 (0.94) S1PR2
SCHEMBL23908815 0.65 S1PR2 (0.62) S1PR2

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
EP-3649119-B1 NOVEL COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS THEREOF FOR THE TREATMENT OF FIBROSIS GALAPAGOS NV (BE) 2021-11-03 EP disclosed