SCHEMBL31075230

SCHEMBL31075230

CCOC(=O)c1cnn(Cc2cnc(N3CCC3)nc2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ GRM2 Q14416 1/20 0.42
▸ OGA O60502 1/20 0.40
▸ PDE4B Q07343 1/20 0.39
▸ KMT2A Q03164 4/20 0.38
▸ MEN1 O00255 3/20 0.38
▸ ACACB O00763 1/20 0.38
▸ BTK Q06187 2/20 0.37
▸ PIK3CA P42336 1/20 0.37
▸ NPC1 O15118 2/20 0.37
▸ RAB9A P51151 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ HRH3 Q9Y5N1 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ RXFP1 Q9HBX9 1/20 0.35
▸ ENPP2 Q13822 1/20 0.35
▸ SIRT2 Q8IXJ6 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
SCHEMBL18816485 0.85 BTK (0.51) GRM2KMT2AACACBBTK
SCHEMBL31075155 0.85 P2RY12 (0.45) GRM2OGAKMT2ABTKPIK3CA
SCHEMBL31075273 0.83 L3MBTL1 (0.46) POLBBTKALDH1A1LMNA
SCHEMBL12952642 0.81 POLB (0.54) POLBMAPTOGAPDE4BKMT2A
SCHEMBL31075223 0.80 GRM2 (0.44) POLBMAPTGRM2KMT2AMEN1
SCHEMBL23773841 0.79 GRM2 (0.40) POLBMAPTGRM2ACACBBTK
SCHEMBL29390128 0.79 BTK (0.41) MAPTPDE4BBTKALDH1A1LMNA
SCHEMBL6984326 0.78 MAPT (0.57) POLBMAPTOGAPDE4BKMT2A
SCHEMBL1909166 0.77 GRM2 (0.53) GRM2KMT2AMEN1NPC1ALDH1A1
SCHEMBL25678417 0.77 MAPT (0.56) POLBMAPTOGAPDE4BKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4665330-A1 PLASMA KALLIKREIN INHIBITORS Merck Sharp & Dohme LLC (US) 2025-12-24 — — EP disclosed
WO-2024173196-A1 PLASMA KALLIKREIN INHIBITORS MERCK SHARP & DOHME LLC (US) 2024-08-22 — — WO disclosed
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