SCHEMBL26167807

SCHEMBL26167807

CC(C)C(=O)Cc1ccc2c(c1)CCN(C(C)C)C2

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HRH3 Q9Y5N1 6/20 0.40
▸ MOGAT2 Q3SYC2 1/20 0.39
▸ ACACB O00763 5/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ SLC22A12 Q96S37 1/20 0.37
▸ KCNH2 Q12809 1/20 0.37
▸ TLR7 Q9NYK1 1/20 0.37
▸ HDAC1 Q13547 1/20 0.36
▸ HDAC6 Q9UBN7 1/20 0.36
▸ PTGER1 P34995 1/20 0.36

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
SCHEMBL26167901 0.89 KCNH2 (0.40) HRH3HSP90AA1KCNH2
SCHEMBL28641279 0.81 HRH3 (0.44) HRH3MOGAT2ACACBHSP90AA1KCNH2
SCHEMBL21140748 0.80 HRH3 (0.45) HRH3MOGAT2KDM4EHSP90AA1KCNH2
SCHEMBL26122391 0.79 HRH3 (0.44) HRH3MOGAT2ACACBHSP90AA1KCNH2
SCHEMBL21482067 0.79 HRH3 (0.44) HRH3MOGAT2ACACBKDM4EALDH1A1
SCHEMBL23032967 0.79 HRH3 (0.44) HRH3MOGAT2KCNH2TLR7
SCHEMBL25091108 0.77 MOGAT2 (0.43) HRH3MOGAT2HSP90AA1KCNH2TLR7
SCHEMBL26167804 0.76 MAP3K5 (0.35) HRH3KDM4EALDH1A1LMNAMAPT
SCHEMBL26167813 0.76 PTGER1 (0.44) HRH3ACACBKDM4EALDH1A1LMNA
SCHEMBL21462204 0.76 HRH3 (0.48) HRH3MOGAT2KDM4EALDH1A1LMNA

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
US-20230160001-A1 NUCLEOTIDE CLEAVABLE LINKERS WITH RIGID SPACERS AND USES THEREOF FIRST-CITIZENS BANK & TRUST COMPANY 2023-05-25 — — US disclosed
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