SCHEMBL31280171

SCHEMBL31280171

COc1ccc(CN(Cc2ccc(OC)cc2)c2nccc3c2[nH]c(=O)n3[C@H]2C[C@@H](OC)CN(C(=O)OC(C)(C)C)C2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC2A1 P11166 1/20 0.35
▸ OPRM1 P35372 1/20 0.35
▸ HRH1 P35367 3/20 0.35
▸ HRH4 Q9H3N8 3/20 0.35
▸ BACE1 P56817 2/20 0.33
▸ CTSD P07339 1/20 0.33
▸ CTSE P14091 1/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ CCR5 P51681 1/20 0.33
▸ SRC P12931 1/20 0.33
▸ CHRM2 P08172 1/20 0.33
▸ CHRM1 P11229 1/20 0.33
▸ CHRM3 P20309 1/20 0.33
▸ JAK2 O60674 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CALCRL Q16602 1/20 0.32
▸ KCNH2 Q12809 1/20 0.32
▸ SCN5A Q14524 1/20 0.32

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
SCHEMBL32664297 1.00 SLC2A1 (0.35) SLC2A1OPRM1HRH1HRH4BACE1
SCHEMBL29737046 0.92 SLC2A1 (0.36) SLC2A1OPRM1HRH1HRH4BACE1
SCHEMBL30111801 0.87 HTR6 (0.40) SLC2A1OPRM1HRH1HRH4BACE1
SCHEMBL18289976 0.87 HTR6 (0.40) SLC2A1OPRM1HRH1HRH4BACE1
SCHEMBL31279004 0.86 SLC2A1 (0.35) SLC2A1OPRM1HRH1HRH4BACE1
SCHEMBL32664570 0.86 SLC2A1 (0.35) SLC2A1OPRM1HRH1HRH4BACE1
SCHEMBL31279119 0.85 BACE1 (0.36) SLC2A1OPRM1HRH1HRH4BACE1
SCHEMBL32664703 0.85 BACE1 (0.36) SLC2A1OPRM1HRH1HRH4BACE1
SCHEMBL22902468 0.82 L3MBTL1 (0.39) OPRM1HRH1HRH4JAK2JAK1
SCHEMBL22902459 0.82 OPRM1 (0.35) OPRM1HRH1HRH4CHRM2CHRM1

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-119343340-A Methods of preparing modified BTK inhibitors 普林斯匹亚生物制药公司 2025-01-21 — — CN disclosed
Send feedback