SCHEMBL30718823

SCHEMBL30718823

C=Cc1ccc2nc(N3C[C@H]4COC[C@H]4C3)ncc2c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ HTR3A P46098 2/20 0.40
▸ HCRTR2 O43614 9/20 0.39
▸ HCRTR1 O43613 8/20 0.39
▸ PDE10A Q9Y233 6/20 0.36
▸ HRH4 Q9H3N8 1/20 0.35
▸ TLR4 O00206 1/20 0.33
▸ TLR9 Q9NR96 1/20 0.33
▸ TLR8 Q9NR97 1/20 0.33
▸ TLR7 Q9NYK1 1/20 0.33
▸ ACACB O00763 1/20 0.33
▸ MAPT P10636 1/20 0.32
▸ PDE2A O00408 1/20 0.32

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
SCHEMBL27145338 1.00 HTR3A (0.40) HTR3AHCRTR2HCRTR1PDE10AHRH4
SCHEMBL27138918 0.88 HCRTR2 (0.41) HTR3AHCRTR2HCRTR1PDE10ATLR4
SCHEMBL27144010 0.84 HTR3A (0.40) HTR3AHCRTR2HCRTR1PDE10AHRH4
SCHEMBL30718801 0.84 HTR3A (0.40) HTR3AHCRTR2HCRTR1PDE10AHRH4
SCHEMBL27147108 0.82 HTR3A (0.40) HTR3AHCRTR2HCRTR1PDE10AHRH4
SCHEMBL31413438 0.82 HTR3A (0.40) HTR3AHCRTR2HCRTR1PDE10AHRH4
SCHEMBL31413439 0.81 HCRTR2 (0.46) HTR3AHCRTR2HCRTR1PDE10AHRH4
SCHEMBL30718606 0.81 HTR3A (0.48) HTR3AHRH4MAPT
SCHEMBL27149552 0.81 HTR3A (0.48) HTR3AHRH4MAPT
SCHEMBL27152248 0.81 HCRTR2 (0.46) HTR3AHCRTR2HCRTR1PDE10AHRH4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4547658-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF Bristol-Myers Squibb Company (US) 2025-05-07 — — EP disclosed
CN-119325469-A WEE1 degrading compounds and uses thereof 百时美施贵宝公司 2025-01-17 — — CN disclosed
WO-2024006881-A1 WEE1 DEGRADING COMPOUNDS AND USES THEREOF BRISTOL-MYERS SQUIBB COMPANY (US) 2024-01-04 — — WO disclosed
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