SCHEMBL23966873

SCHEMBL23966873

CNc1cc2[nH]c(Cc3nn(C4CN(CC(=O)O)C4)c(=O)c4ccccc34)nc2cc1OCC(F)F

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 16/20 0.62
TSHR P16473 1/20 0.32
CMA1 P23946 1/20 0.31
AKR1B1 P15121 1/20 0.31
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
SCHEMBL23908868 0.88 S1PR2 (0.61) S1PR2TSHRCMA1
SCHEMBL23908838 0.83 S1PR2 (0.58) S1PR2ADRA1AHRH1ADRA1BHRH3
SCHEMBL23908998 0.77 S1PR2 (0.83) S1PR2TSHRCMA1AKR1B1
SCHEMBL23915477 0.77 S1PR2 (0.52) S1PR2
SCHEMBL23908740 0.77 S1PR2 (0.67) S1PR2ADRA1AHRH1ADRA1BHRH3
SCHEMBL23966591 0.76 S1PR2 (0.58) S1PR2
SCHEMBL23966589 0.76 S1PR2 (0.60) S1PR2
SCHEMBL23908887 0.75 S1PR2 (0.94) S1PR2TSHRCMA1AKR1B1
SCHEMBL23908822 0.75 S1PR2 (0.54) S1PR2ADRA1AHRH1ADRA1BHRH3
SCHEMBL23909089 0.75 S1PR2 (0.78) S1PR2TSHRCMA1AKR1B1

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