SCHEMBL31413450

SCHEMBL31413450

COC(=O)c1ccc2nc(N3C[C@H]4COC[C@H]4C3)ccc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE10A Q9Y233 2/20 0.48
▸ HTT P42858 2/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ HRH3 Q9Y5N1 3/20 0.43
▸ ACACB O00763 2/20 0.42
▸ PDE4B Q07343 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ PABPC1 P11940 1/20 0.39
▸ CASP1 P29466 1/20 0.39
▸ CASP7 P55210 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ HDAC3 O15379 1/20 0.39
▸ HDAC2 Q92769 1/20 0.39
▸ LCK P06239 1/20 0.39

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
SCHEMBL27144412 1.00 PDE10A (0.48) PDE10AHTTALOX15HRH3ACACB
SCHEMBL31413425 0.86 PDE10A (0.48) PDE10AHTTALOX15HRH3ACACB
SCHEMBL27142101 0.86 PDE10A (0.48) PDE10AHTTALOX15HRH3ACACB
SCHEMBL27110450 0.85 PDE10A (0.53) PDE10AHTTALOX15HRH3ACACB
SCHEMBL27144759 0.83 MCHR1 (0.52) HTTALOX15HRH3KDM4EALDH1A1
SCHEMBL31413459 0.82 ALOX15 (0.45) PDE10AHTTALOX15HRH3PDE4B
SCHEMBL31413452 0.82 HTT (0.48) PDE10AHTTALOX15HRH3PDE4B
SCHEMBL27150781 0.82 ALOX15 (0.45) PDE10AHTTALOX15HRH3PDE4B
SCHEMBL27146407 0.82 HTT (0.48) PDE10AHTTALOX15HRH3PDE4B
SCHEMBL20176398 0.80 KDM4E (0.53) PDE10AHTTALOX15HRH3KDM4E

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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