SCHEMBL28440652

SCHEMBL28440652

Cn1c(COc2cccc(C(F)(F)F)c2)nnc1[C@H]1CC[C@H](n2cc([C@H]3CC[C@H](OC(N)=O)CC3)cn2)CC1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MAOA P21397 1/20 0.37
▸ MAOB P27338 1/20 0.37
▸ PPARG P37231 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ TSHR P16473 1/20 0.37
▸ HTR2C P28335 1/20 0.36
▸ RAB9A P51151 4/20 0.36
▸ NPC1 O15118 3/20 0.36
▸ MAP4K3 Q8IVH8 1/20 0.35
▸ KMT2A Q03164 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ MAPK1 P28482 1/20 0.34

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
SCHEMBL28434825 1.00 L3MBTL1 (0.37) L3MBTL1MAOAMAOBPPARGALDH1A1
SCHEMBL20832930 0.89 L3MBTL1 (0.41) L3MBTL1MAOAMAOBPPARGHTR2C
SCHEMBL22227976 0.87 PPARG (0.40) L3MBTL1MAOAMAOBPPARGHTR2C
SCHEMBL20832924 0.86 HRH3 (0.45) L3MBTL1MAOAMAOBPPARGHTR2C
SCHEMBL22227778 0.86 HRH3 (0.45) L3MBTL1MAOAMAOBPPARGHTR2C
SCHEMBL22228035 0.86 HRH3 (0.45) L3MBTL1MAOAMAOBPPARGHTR2C
SCHEMBL22227776 0.86 HRH3 (0.45) L3MBTL1MAOAMAOBPPARGHTR2C
SCHEMBL28437001 0.86 MAP4K3 (0.37) L3MBTL1MAOAMAOBPPARGALDH1A1
SCHEMBL28437004 0.86 MAP4K3 (0.37) L3MBTL1MAOAMAOBPPARGALDH1A1
SCHEMBL22228048 0.85 ALDH1A1 (0.36) L3MBTL1MAOAMAOBPPARGALDH1A1

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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