SCHEMBL23966899

SCHEMBL23966899

CCn1nc(Cn2cc3cc(OCC4CC4)c(Cl)cc3n2)c2ccccc2c1=O

nearest known ligand 0.81

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
S1PR2 O95136 17/20 0.81
KCNH2 Q12809 1/20 0.71
MAPT P10636 1/20 0.39

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
SCHEMBL23908854 0.90 S1PR2 (1.00) S1PR2KCNH2
SCHEMBL23915495 0.88 S1PR2 (0.88) S1PR2KCNH2
SCHEMBL28380866 0.87 S1PR2 (0.75) S1PR2KCNH2MAPT
SCHEMBL23915497 0.86 S1PR2 (0.81) S1PR2KCNH2
SCHEMBL23908778 0.86 S1PR2 (0.80) S1PR2KCNH2
SCHEMBL23908888 0.85 S1PR2 (0.81) S1PR2KCNH2
SCHEMBL23908808 0.84 S1PR2 (0.71) S1PR2KCNH2
SCHEMBL23966894 0.84 S1PR2 (0.80) S1PR2KCNH2
SCHEMBL23966602 0.84 S1PR2 (0.80) S1PR2KCNH2
SCHEMBL23908784 0.83 S1PR2 (1.00) S1PR2KCNH2

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