SCHEMBL31496920

SCHEMBL31496920

COC(=O)c1c(C(=O)CBr)cc(Br)nc1OC1CCC1

nearest known ligand 0.33

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.32
▸ HCRTR1 O43613 1/20 0.32
▸ HCRTR2 O43614 1/20 0.32
▸ OPRK1 P41145 4/20 0.31
▸ THRA P10827 2/20 0.31
▸ THRB P10828 2/20 0.31
▸ PDE5A O76074 1/20 0.31
▸ SCN9A Q15858 2/20 0.30
▸ SCN5A Q14524 1/20 0.30
▸ PDE4A P27815 1/20 0.30
▸ PDE4B Q07343 1/20 0.30
▸ PDE4C Q08493 1/20 0.30
▸ PDE4D Q08499 1/20 0.30
▸ HSP90B1 P14625 1/20 0.30
▸ GRM5 P41594 1/20 0.30
▸ FFAR4 Q5NUL3 1/20 0.30
▸ LRRK2 Q5S007 1/20 0.30
▸ L3MBTL1 Q9Y468 1/20 0.30

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
SCHEMBL31496960 0.95 HCRTR1 (0.32) HCRTR1HCRTR2OPRK1L3MBTL1
SCHEMBL31496970 0.87 LMNA (0.31) KMT2AHCRTR1HCRTR2SCN9ASCN5A
SCHEMBL31496913 0.82 MAOA (0.35) KMT2AHCRTR1HCRTR2OPRK1SCN9A
SCHEMBL31496873 0.82 ALDH1A1 (0.32) HCRTR1HCRTR2
SCHEMBL30753090 0.82 THRA (0.32) KMT2ATHRATHRB
SCHEMBL31496937 0.78 OPRK1 (0.33) KMT2AHCRTR1HCRTR2OPRK1
SCHEMBL31496911 0.77 RAB9A (0.32) L3MBTL1
SCHEMBL31496829 0.76 PARP10 (0.36) THRATHRBPDE4APDE4BPDE4C
SCHEMBL31496862 0.71 KCNH2 (0.34) —
SCHEMBL31388158 0.66 AAK1 (0.32) —

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-119585261-A PRMT5 inhibitor, preparation method and application thereof 上海艾力斯医药科技股份有限公司 2025-03-07 — — CN disclosed
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