SCHEMBL23966896

SCHEMBL23966896

N#Cc1cc2[nH]c(Cc3nn(CCNCCS(N)(=O)=O)c(=O)c4ccccc34)nc2cc1OCC(F)F

nearest known ligand 0.55

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 8/20 0.55
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
ADRA1B P35368 1/20 0.31
HRH3 Q9Y5N1 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
SCHEMBL23908862 0.89 S1PR2 (0.62) S1PR2
SCHEMBL23909089 0.83 S1PR2 (0.78) S1PR2
SCHEMBL23908752 0.82 S1PR2 (0.65) S1PR2
SCHEMBL23908861 0.80 S1PR2 (0.76) S1PR2
SCHEMBL23908802 0.79 S1PR2 (0.56) S1PR2ADRA1AHRH1ADRA1BHRH3
SCHEMBL23908913 0.79 S1PR2 (0.63) S1PR2
SCHEMBL23908880 0.79 S1PR2 (0.63) S1PR2
SCHEMBL23908794 0.78 S1PR2 (0.62) S1PR2
SCHEMBL23908878 0.78 S1PR2 (0.64) S1PR2
SCHEMBL23908822 0.77 S1PR2 (0.54) S1PR2ADRA1AHRH1ADRA1BHRH3

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