SCHEMBL30765258

SCHEMBL30765258

O=C(c1ccc(-c2cc3nccc(Cl)c3o2)cn1)N1CC(O)C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 1/20 0.35
AOC3 Q16853 1/20 0.34
SCD O00767 2/20 0.33
SCD5 Q86SK9 2/20 0.33
SCN9A Q15858 1/20 0.33
SCN10A Q9Y5Y9 1/20 0.33
PDE10A Q9Y233 1/20 0.33
GHSR Q92847 1/20 0.33
FGFR3 P22607 1/20 0.33
MAP4K1 Q92918 1/20 0.33
NPC1 O15118 5/20 0.33
RAB9A P51151 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
ALDH1A1 P00352 2/20 0.32
HPGD P15428 2/20 0.32
GRIN2B Q13224 2/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
NTRK1 P04629 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
SCHEMBL27261209 0.79 FGFR3 (0.36) GABRA1SCN9ASCN10APDE10AFGFR3
SCHEMBL30765354 0.79 FGFR3 (0.36) GABRA1SCN9ASCN10APDE10AFGFR3
SCHEMBL30765376 0.78 MAP3K7 (0.39) GABRA1PDE10AROCK2
SCHEMBL27260978 0.78 MAP3K7 (0.39) GABRA1PDE10AROCK2
SCHEMBL30765147 0.75 NPC1 (0.51) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL18348334 0.73 HCRTR1 (0.32) SCDSCD5PDE10AALDH1A1LMNA
SCHEMBL723467 0.73 HPGD (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1HPGD
SCHEMBL18361971 0.72 LRRK2 (0.35) NPC1RAB9A
SCHEMBL10268113 0.71 PIK3CD (0.45) AOC3MKNK2
SCHEMBL30765295 0.71 GLRA1 (0.44) NPC1GRIN2B

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
WO-2024033280-A1 FUROPYRIDIN AND FUROPYRIMIDIN, INHIBITORS OF PI4K, FOR USE IN THE TREATMENT OF PARASITE INFECTION AND MALARIA MERCK PATENT GMBH (DE) 2024-02-15 WO disclosed