SCHEMBL29547503

SCHEMBL29547503

N#Cc1cc(Br)cnc1OC1CC(OCc2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSL P07711 1/20 0.40
CTSB P07858 1/20 0.40
CTSK P43235 1/20 0.40
ACACB O00763 2/20 0.39
MAOB P27338 2/20 0.38
SLC6A4 P31645 2/20 0.36
CNR1 P21554 2/20 0.36
CYP11B2 P19099 1/20 0.36
NAAA Q02083 5/20 0.36
IMPDH2 P12268 1/20 0.35
RET P07949 1/20 0.35
XDH P47989 1/20 0.34
MAOA P21397 1/20 0.34
SQOR Q9Y6N5 1/20 0.34

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
SCHEMBL22906900 1.00 CTSL (0.40) CTSLCTSBCTSKACACBMAOB
SCHEMBL22906969 1.00 CTSL (0.40) CTSLCTSBCTSKACACBMAOB
SCHEMBL20129070 0.80 ACACB (0.37) CTSLCTSBCTSKACACBMAOB
SCHEMBL26600712 0.76 ACACB (0.41) ACACB
SCHEMBL22906837 0.75 CYP11B2 (0.41) ACACBCNR1CYP11B2NAAARET
SCHEMBL20120315 0.74 OPRK1 (0.41) CTSLCTSBCTSKACACBSLC6A4
SCHEMBL20120314 0.74 OPRK1 (0.41) CTSLCTSBCTSKACACBSLC6A4
SCHEMBL21877007 0.74 SLC6A4 (0.35) SLC6A4
SCHEMBL29547656 0.73 ACACB (0.39) CTSLCTSBCTSKACACBNAAA
SCHEMBL27139547 0.73 ACACB (0.39) CTSLCTSBCTSKACACBNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119954801-A TAU protein targeting compounds and related methods of use 阿尔维纳斯运营股份有限公司 2025-05-09 CN disclosed
CN-114867727-B TAU protein targeting compounds and related methods of use 阿尔维纳斯运营股份有限公司 2025-02-21 CN disclosed
CN-114867727-A TAU protein targeting compounds and related methods of use 阿尔维纳斯运营股份有限公司 2022-08-05 CN disclosed
EP-3999182-A1 TAU-PROTEIN TARGETING COMPOUNDS AND ASSOCIATED METHODS OF USE Arvinas Operations, Inc. (US) 2022-05-25 EP disclosed