SCHEMBL22902459

SCHEMBL22902459

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ OPRM1 P35372 3/20 0.35
▸ GRIN1 Q05586 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ KCNH2 Q12809 2/20 0.33
▸ RPLP1 P05386 2/20 0.33
▸ RPLP0 P05388 2/20 0.33
▸ RPS17 P08708 2/20 0.33
▸ RPSA P08865 2/20 0.33
▸ RPS2 P15880 2/20 0.33
▸ RPL35A P18077 2/20 0.33
▸ RPL7 P18124 2/20 0.33
▸ RPL17 P18621 2/20 0.33
▸ RPS4Y1 P22090 2/20 0.33
▸ RPS3 P23396 2/20 0.33
▸ RPS12 P25398 2/20 0.33
▸ RPL13 P26373 2/20 0.33
▸ RPL10 P27635 2/20 0.33
▸ RPL12 P30050 2/20 0.33
▸ RPL9; RPL9P7; RPL9P8; RPL9P9 P32969 2/20 0.33
▸ RPL22 P35268 2/20 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
SCHEMBL22902468 0.86 L3MBTL1 (0.39) OPRM1GRIN1GRIN2BHRH1HRH4
SCHEMBL29737046 0.82 SLC2A1 (0.36) OPRM1KCNH2SMN1; SMN2HRH1HRH4
SCHEMBL31280171 0.82 SLC2A1 (0.35) OPRM1KCNH2CHRM2CHRM1CHRM3
SCHEMBL32664297 0.82 SLC2A1 (0.35) OPRM1KCNH2CHRM2CHRM1CHRM3
SCHEMBL31279004 0.81 SLC2A1 (0.35) OPRM1SMN1; SMN2HRH1HRH4LMNA
SCHEMBL32664570 0.81 SLC2A1 (0.35) OPRM1SMN1; SMN2HRH1HRH4LMNA
SCHEMBL18289976 0.81 HTR6 (0.40) OPRM1HRH1HRH4ALDH1A1
SCHEMBL30111801 0.81 HTR6 (0.40) OPRM1HRH1HRH4ALDH1A1
SCHEMBL29471042 0.80 OPRM1 (0.46) OPRM1KCNH2RPLP1RPLP0RPS17
SCHEMBL22902495 0.79 PIK3R1 (0.38) BUB1

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
WO-2021011428-A1 HETEROCYCLIC KINASE INHIBITORS GB005, INC. (US) 2021-01-21 — — WO disclosed
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