SCHEMBL31413410

SCHEMBL31413410

COC1CCC(Oc2ccc3cc(Br)ccc3n2)CC1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 1/20 0.41
▸ GRM1 Q13255 3/20 0.39
▸ ACACB O00763 1/20 0.38
▸ KCNH2 Q12809 5/20 0.38
▸ HRH3 Q9Y5N1 1/20 0.37
▸ SRC P12931 1/20 0.37
▸ PRKD3 O94806 1/20 0.37
▸ PDGFRB P09619 2/20 0.36
▸ PDGFRA P16234 2/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL27141948 1.00 BACE1 (0.41) BACE1GRM1ACACBKCNH2HRH3
SCHEMBL17962757 0.93 BACE1 (0.47) BACE1ACACBKCNH2SRCPRKD3
SCHEMBL1161750 0.86 KCNH2 (0.40) BACE1ACACBKCNH2SRCPRKD3
SCHEMBL1161752 0.86 KCNH2 (0.40) BACE1ACACBKCNH2SRCPRKD3
SCHEMBL29790537 0.83 KCNH2 (0.45) BACE1KCNH2HRH3SRCL3MBTL1
SCHEMBL16621259 0.83 KCNH2 (0.45) BACE1KCNH2HRH3SRCL3MBTL1
SCHEMBL27139886 0.80 GRM1 (0.37) BACE1GRM1KCNH2HRH3SRC
SCHEMBL27138895 0.80 SRC (0.39) GRM1KCNH2HRH3SRCPRKD3
SCHEMBL16621394 0.80 KCNH2 (0.42) BACE1KCNH2HRH3L3MBTL1
SCHEMBL16621393 0.80 KCNH2 (0.42) BACE1KCNH2HRH3L3MBTL1

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
CN-119325469-A WEE1 degrading compounds and uses thereof 百时美施贵宝公司 2025-01-17 — — CN disclosed
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