SCHEMBL28097002

SCHEMBL28097002

O=C(OCc1ccccc1)N1CCc2c(cccc2-c2cccc(O)c2)C1

nearest known ligand 0.60

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 16/20 0.60
ABHD6 Q9BV23 1/20 0.54
TMEM97 Q5BJF2 3/20 0.53
SIGMAR1 Q99720 3/20 0.53

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
SCHEMBL15056108 0.85 PTGDR2 (0.82) PTGDR2
SCHEMBL28097001 0.80 PTGDR2 (0.60) PTGDR2TMEM97SIGMAR1
SCHEMBL28096940 0.80 TMEM97 (0.58) PTGDR2TMEM97SIGMAR1
SCHEMBL30276669 0.80 TMEM97 (0.58) PTGDR2TMEM97SIGMAR1
SCHEMBL29554819 0.80 TMEM97 (0.58) PTGDR2ABHD6TMEM97SIGMAR1
SCHEMBL4795463 0.80 TMEM97 (0.58) PTGDR2TMEM97SIGMAR1
SCHEMBL324228 0.78 TMEM97 (0.67) TMEM97SIGMAR1
SCHEMBL30515329 0.77 TMEM97 (0.70) TMEM97SIGMAR1
SCHEMBL1299903 0.77 TMEM97 (0.70) TMEM97SIGMAR1
SCHEMBL30645345 0.77 TMEM97 (0.70) TMEM97SIGMAR1

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
CN-104011021-B heterocyclic derivatives and their use as prostaglandin D2 receptor modulators 埃科特莱茵药品有限公司 2016-08-24 CN disclosed