SCHEMBL23966612

SCHEMBL23966612

N#CC1(COc2cc3nc(Cc4nn(CC=O)c(=O)c5ccccc45)[nH]c3cc2Cl)CC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 12/20 0.58
RHEB Q15382 2/20 0.33
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
ADRA1B P35368 1/20 0.31
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL23914738 0.89 S1PR2 (0.73) S1PR2
SCHEMBL23908805 0.86 S1PR2 (0.69) S1PR2
SCHEMBL23908865 0.84 S1PR2 (0.63) S1PR2
SCHEMBL23915332 0.82 S1PR2 (0.58) S1PR2
SCHEMBL23908814 0.82 S1PR2 (0.74) S1PR2
SCHEMBL23915670 0.81 S1PR2 (0.59) S1PR2
SCHEMBL23909101 0.80 S1PR2 (0.52) S1PR2RHEB
SCHEMBL23909006 0.80 S1PR2 (0.60) S1PR2
SCHEMBL23966647 0.80 S1PR2 (0.60) S1PR2
SCHEMBL23913408 0.78 S1PR2 (0.79) 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