SCHEMBL22755346

SCHEMBL22755346

Cc1c[nH]c(=O)c2c(C(=O)N3CCC(C)C3)c[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CNR2 P34972 2/20 0.39
▸ HPGD P15428 5/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ NPSR1 Q6W5P4 1/20 0.38
▸ PLAT P00750 1/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.37
▸ TP53 P04637 1/20 0.36
▸ RECQL P46063 1/20 0.35
▸ HSD11B1 P28845 2/20 0.34
▸ JAK2 O60674 1/20 0.34
▸ JAK1 P23458 1/20 0.34
▸ JAK3 P52333 1/20 0.34
▸ BTK Q06187 2/20 0.34
▸ GAA P10253 1/20 0.34
▸ ACHE P22303 1/20 0.33
▸ L3MBTL3 Q96JM7 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33
▸ USP2 O75604 1/20 0.33

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
SCHEMBL22755324 0.83 TSHR (0.41) CNR2HPGDALDH1A1TSHRHTT
SCHEMBL22755149 0.82 TSHR (0.38) CNR2HPGDALDH1A1TSHRHTT
SCHEMBL22755307 0.80 FASN (0.48) SMN1; SMN2TP53
SCHEMBL22754863 0.80 CYP2C9 (0.54) ALDH1A1HTTL3MBTL1
SCHEMBL22755241 0.79 AVPR1A (0.51) HPGDALDH1A1TSHRHTTNPSR1
SCHEMBL22755075 0.78 ALDH1A1 (0.37) CNR2HPGDALDH1A1TSHRHTT
SCHEMBL22755336 0.78 TSHR (0.36) CNR2HPGDALDH1A1TSHRHTT
SCHEMBL22755134 0.78 AVPR1A (0.49) —
SCHEMBL22755137 0.77 HRH1 (0.45) HPGDALDH1A1TSHRHTTNPSR1
SCHEMBL22754859 0.76 SPR (0.45) HPGDALDH1A1TSHRHTTNPSR1

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-3747885-A1 HETEROCYCLIC COMPOUND Takeda Pharmaceutical Company Limited (JP) 2020-12-09 — — EP disclosed
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