SCHEMBL28430362

SCHEMBL28430362

Cn1c(COc2cccc(C(F)(F)F)c2)nnc1C1CCC(NC(=O)OC(C)(C)C)CC1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 1/20 0.45
▸ PPARG P37231 3/20 0.43
▸ NR2E3 Q9Y5X4 1/20 0.43
▸ NCOR2 Q9Y618 1/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.42
▸ KMT2A Q03164 3/20 0.42
▸ MEN1 O00255 1/20 0.42
▸ MAOA P21397 1/20 0.42
▸ MAOB P27338 1/20 0.42
▸ CCRL2 O00421 1/20 0.41
▸ HTR2C P28335 1/20 0.41
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ TYK2 P29597 1/20 0.41
▸ JAK3 P52333 1/20 0.41
▸ KCNA3 P22001 1/20 0.40
▸ RORC P51449 1/20 0.39
▸ NPC1 O15118 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
SCHEMBL20832656 1.00 RAB9A (0.45) RAB9APPARGNR2E3NCOR2L3MBTL1
SCHEMBL22623099 0.90 CCRL2 (0.38) RAB9APPARGNR2E3NCOR2L3MBTL1
SCHEMBL30234059 0.90 CCRL2 (0.38) RAB9APPARGNR2E3NCOR2L3MBTL1
SCHEMBL22227986 0.90 PPARG (0.47) RAB9APPARGNR2E3NCOR2L3MBTL1
SCHEMBL22227983 0.90 PPARG (0.47) RAB9APPARGNR2E3NCOR2L3MBTL1
SCHEMBL20832678 0.89 PPARG (0.55) PPARGNR2E3NCOR2L3MBTL1KMT2A
SCHEMBL20820811 0.86 PPARG (0.43) PPARGNR2E3NCOR2KMT2AMEN1
SCHEMBL20820812 0.86 PPARG (0.43) PPARGNR2E3NCOR2KMT2AMEN1
SCHEMBL20832804 0.83 L3MBTL1 (0.46) RAB9APPARGNR2E3NCOR2L3MBTL1
SCHEMBL22227915 0.83 L3MBTL1 (0.46) RAB9APPARGNR2E3NCOR2L3MBTL1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111094255-B Compounds having cyclic structures 第一三共株式会社 2023-10-03 — — CN disclosed
CN-111094255-A Compound having cyclic structure 第一三共株式会社 2020-05-01 — — CN disclosed
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