SCHEMBL30020659

SCHEMBL30020659

CC(C)(Cc1cccnc1)OC(=O)N1CCNCC1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ NAMPT P43490 4/20 0.46
▸ GPR119 Q8TDV5 3/20 0.45
▸ MKNK1 Q9BUB5 1/20 0.44
▸ MKNK2 Q9HBH9 1/20 0.44
▸ HTR6 P50406 1/20 0.44
▸ FDPS P14324 3/20 0.41
▸ ALDH1A1 P00352 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ BTN3A1 O00481 1/20 0.39
▸ PDE3A Q14432 1/20 0.39
▸ KIT P10721 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
SCHEMBL29155320 0.85 SIGMAR1 (0.45) GPR119HTR6KDM4E
SCHEMBL7383181 0.79 CYP3A4 (0.40) ALDH1A1
SCHEMBL30254155 0.77 ALDH1A1 (0.45) GPR119FDPSALDH1A1KDM4E
SCHEMBL28310399 0.76 FDPS (0.49) FDPSALDH1A1KDM4EBTN3A1PDE3A
SCHEMBL29465171 0.76 NAPRT (0.51) FDPSALDH1A1KDM4EBTN3A1PDE3A
SCHEMBL4234534 0.76 FNTA (0.57) NAMPTGPR119ALDH1A1KDM4EKIT
SCHEMBL3581351 0.75 FNTA (0.62) MKNK1MKNK2ALDH1A1KDM4E
SCHEMBL29795260 0.75 CYP1A2 (0.49) FDPSALDH1A1KDM4EBTN3A1PDE3A
SCHEMBL29958765 0.75 FNTA (0.62) MKNK1MKNK2ALDH1A1KDM4E
SCHEMBL27504718 0.75 CYP1A2 (0.49) FDPSALDH1A1KDM4EBTN3A1PDE3A

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-115279770-A Compounds and compositions for treating diseases associated with STING activity 艾福姆德尤股份有限公司 2022-11-01 — — CN disclosed
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