SCHEMBL29619707

SCHEMBL29619707

OCCC(CCO)c1cc(F)ccc1Br

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.36
PSEN2 P49810 2/20 0.36
APH1B Q8WW43 2/20 0.36
NCSTN Q92542 2/20 0.36
APH1A Q96BI3 2/20 0.36
PSENEN Q9NZ42 2/20 0.36
PKM P14618 1/20 0.33
CES2 O00748 1/20 0.31
CES1 P23141 1/20 0.31
FFAR1 O14842 1/20 0.31
FFAR4 Q5NUL3 1/20 0.31

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
SCHEMBL23210191 1.00 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL31357665 0.77 CES2 (0.32) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23212923 0.77 PSEN1 (0.38) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23210225 0.75 PKM (0.45) PKMCES2CES1FFAR1FFAR4
SCHEMBL29619715 0.75 PKM (0.45) PKMCES2CES1FFAR1FFAR4
SCHEMBL16953422 0.74 PKM (0.33) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23210236 0.72 ALDH1A1 (0.41)
SCHEMBL29619716 0.72 ALDH1A1 (0.41)
SCHEMBL6742438 0.71 CYP11B1 (0.42) PKMCES2CES1
SCHEMBL6745173 0.71 CYP11B1 (0.42) PKMCES2CES1

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-119390705-A 5-Oxa-2-azaspiro [3.4] octane derivatives as M4 agonists 诺华股份有限公司 2025-02-07 CN disclosed
CN-114555606-B 5-Oxa-2-azaspiro [3.4] octane derivatives as M4 agonists 诺华股份有限公司 2024-10-01 CN disclosed
CN-114555592-B 2-Azaspiro [3.4] octane derivatives as M4 agonists 诺华股份有限公司 2024-09-06 CN disclosed
CN-114555606-A 5-oxa-2-azaspiro [3.4] octane derivatives as M4 agonists 诺华股份有限公司 2022-05-27 CN disclosed
CN-114555592-A 2-azaspiro [3.4] octane derivatives as M4 agonists 诺华股份有限公司 2022-05-27 CN disclosed