SCHEMBL30740732

SCHEMBL30740732

CC(C)(C)OC(=O)N1CCCCC1Cc1cccc(COc2ccc(C3CC3)cc2Cl)n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 3/20 0.45
▸ PDE8B O95263 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ PDE4B Q07343 1/20 0.39
▸ EPHA2 P29317 1/20 0.38
▸ KDR P35968 1/20 0.38
▸ EPHB4 P54760 1/20 0.38
▸ AHCY P23526 1/20 0.38
▸ KDM1A O60341 1/20 0.38
▸ FFAR4 Q5NUL3 1/20 0.37
▸ PRMT5 O14744 1/20 0.37
▸ GPR119 Q8TDV5 1/20 0.37
▸ PDE7B Q9NP56 1/20 0.37
▸ ALOX5AP P20292 1/20 0.37
▸ FEN1 P39748 1/20 0.37
▸ CHEK2 O96017 1/20 0.37
▸ PPARG P37231 2/20 0.37
▸ PPARA Q07869 1/20 0.37

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
SCHEMBL29826502 0.85 MRGPRX4 (0.48) MRGPRX4LMNAPDE4BGPR119
SCHEMBL30740841 0.81 L3MBTL1 (0.38) PDE8BLMNAKDM1APRMT5GPR119
SCHEMBL30740694 0.80 HCRTR2 (0.41) MRGPRX4LMNAKDM1APRMT5CHEK2
SCHEMBL30740738 0.80 PRMT5 (0.38) PDE8BLMNAKDM1APRMT5GPR119
SCHEMBL30740781 0.78 KDM1A (0.44) PDE8BALDH1A1LMNATSHRKDM1A
SCHEMBL30740730 0.76 MRGPRX4 (0.46) MRGPRX4ALDH1A1LMNATSHREPHA2
SCHEMBL30745366 0.75 MRGPRX4 (0.49) MRGPRX4ALDH1A1LMNATSHREPHA2
SCHEMBL30740715 0.74 KMT2A (0.52) MRGPRX4ALDH1A1LMNATSHRAHCY
SCHEMBL30745354 0.73 ALDH1A1 (0.44) PDE8BALDH1A1LMNATSHREPHA2
SCHEMBL24793341 0.73 MRGPRX4 (0.48) MRGPRX4ALDH1A1PDE4BPRMT5

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-117043154-A GPCR receptor agonists, pharmaceutical compositions comprising same, and methods of use thereof 卡莫特医疗有限公司 2023-11-10 — — CN disclosed
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