SCHEMBL31413368

SCHEMBL31413368

Brc1ccc2nc(N3C[C@H]4CC[C@@H](C3)O4)ncc2c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MTOR P42345 9/20 0.40
▸ HTR3A P46098 2/20 0.39
▸ HCRTR1 O43613 1/20 0.39
▸ HCRTR2 O43614 1/20 0.39
▸ PIK3CA P42336 5/20 0.38
▸ PDE10A Q9Y233 2/20 0.38
▸ MAP3K12 Q12852 1/20 0.35
▸ TLR4 O00206 1/20 0.34
▸ TLR9 Q9NR96 1/20 0.34
▸ TLR8 Q9NR97 1/20 0.34
▸ TLR7 Q9NYK1 1/20 0.34
▸ HRH4 Q9H3N8 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
SCHEMBL27145054 1.00 MTOR (0.40) MTORHTR3AHCRTR1HCRTR2PIK3CA
SCHEMBL27144025 0.93 HTR3A (0.40) MTORHTR3AHCRTR1HCRTR2PDE10A
SCHEMBL31413461 0.93 HTR3A (0.40) MTORHTR3AHCRTR1HCRTR2PDE10A
SCHEMBL30718688 0.84 HCRTR1 (0.38) HTR3AHCRTR1HCRTR2PDE10ATLR4
SCHEMBL27144904 0.84 HCRTR1 (0.38) HTR3AHCRTR1HCRTR2PDE10ATLR4
SCHEMBL31413439 0.81 HCRTR2 (0.46) HTR3AHCRTR1HCRTR2PDE10AHRH4
SCHEMBL27152248 0.81 HCRTR2 (0.46) HTR3AHCRTR1HCRTR2PDE10AHRH4
SCHEMBL31413438 0.81 HTR3A (0.40) MTORHTR3AHCRTR1HCRTR2PIK3CA
SCHEMBL27147108 0.81 HTR3A (0.40) MTORHTR3AHCRTR1HCRTR2PIK3CA
SCHEMBL27139923 0.81 MTOR (0.39) MTORHTR3AHCRTR1HCRTR2PIK3CA

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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