SCHEMBL29118133

SCHEMBL29118133

O=C(O)N1CCc2cc(-c3cc[nH]n3)cc(OCc3ccccc3)c2C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 10/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ GPR183 P32249 1/20 0.38
▸ CHRNA7 P36544 2/20 0.37
▸ TMEM97 Q5BJF2 1/20 0.37
▸ SIGMAR1 Q99720 1/20 0.37
▸ KMT2A Q03164 2/20 0.36
▸ NPC1 O15118 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ NPSR1 Q6W5P4 1/20 0.36

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
SCHEMBL19667656 0.88 ESR2 (0.42) PTGDR2TMEM97SIGMAR1
SCHEMBL30207824 0.88 ESR2 (0.42) PTGDR2TMEM97SIGMAR1
SCHEMBL29118122 0.80 MEN1 (0.34) KMT2ANPC1MEN1SMN1; SMN2
SCHEMBL29118109 0.80 L3MBTL1 (0.38) PTGDR2L3MBTL1GPR183CHRNA7TMEM97
SCHEMBL29118088 0.79 L3MBTL1 (0.43) PTGDR2L3MBTL1GPR183CHRNA7TMEM97
SCHEMBL29118114 0.79 GPR119 (0.43) PTGDR2L3MBTL1GPR183CHRNA7
SCHEMBL29118124 0.77 PTGDR2 (0.42) PTGDR2L3MBTL1GPR183CHRNA7TMEM97
SCHEMBL29118086 0.77 MAOA (0.42) PTGDR2L3MBTL1GPR183CHRNA7TMEM97
SCHEMBL29118090 0.77 MAOB (0.46) PTGDR2L3MBTL1GPR183CHRNA7TMEM97
SCHEMBL29118130 0.76 TMEM97 (0.42) PTGDR2L3MBTL1GPR183CHRNA7TMEM97

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-109890797-B Substituted carbon nucleoside derivatives useful as anticancer agents 辉瑞公司 2023-02-28 — — CN disclosed
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