SCHEMBL28375594

SCHEMBL28375594

COC1CCN(Cc2ccc(CO)cc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 2/20 0.52
▸ OPRM1 P35372 1/20 0.52
▸ OPRK1 P41145 1/20 0.52
▸ HRH3 Q9Y5N1 7/20 0.49
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ ACHE P22303 1/20 0.45
▸ KDM4E B2RXH2 1/20 0.43

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
SCHEMBL791901 0.85 MEN1 (0.55) LTA4HOPRM1OPRK1HRH3MEN1
SCHEMBL12082512 0.85 ALDH1A1 (0.56) LTA4HOPRM1OPRK1HRH3MEN1
SCHEMBL27891330 0.83 SIGMAR1 (0.63) LTA4HOPRM1MEN1KMT2AACHE
SCHEMBL3866505 0.83 LTA4H (0.52) LTA4HOPRM1OPRK1HRH3CYP2D6
SCHEMBL3158273 0.83 LMNA (0.57) LTA4HOPRM1OPRK1HRH3ALDH1A1
SCHEMBL1428200 0.83 KDM4E (0.53) LTA4HOPRM1OPRK1HRH3ALDH1A1
SCHEMBL8096431 0.83 ACHE (0.66) LTA4HOPRM1OPRK1HRH3MEN1
SCHEMBL28369901 0.83 LTA4H (0.50) LTA4HHRH3
SCHEMBL3750780 0.83 HRH3 (0.45) OPRM1OPRK1HRH3MEN1ALDH1A1
SCHEMBL15330514 0.83 LTA4H (0.49) LTA4HOPRM1OPRK1HRH3MEN1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110938076-B Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2021-08-10 — — CN disclosed
CN-112898308-A Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2021-06-04 — — CN disclosed
CN-110759916-B Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2021-02-19 — — CN disclosed
CN-110938076-A Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2020-03-31 — — CN disclosed
CN-110759916-A Pyrrolopyrimidines as TLR7 agonists 正大天晴药业集团股份有限公司 2020-02-07 — — CN disclosed
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