SCHEMBL25048948

SCHEMBL25048948

CC(C)(C)OC(=O)N1CCC([C@H]2C[C@@H](n3cc(I)c4c(Cl)nc(Cl)nc43)[C@@H]3OC(C)(C)O[C@@H]32)CC1

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 14/20 0.35
▸ NR3C1 P04150 2/20 0.32
▸ STS P08842 2/20 0.32
▸ NPC1 O15118 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ MAPK1 P28482 1/20 0.32
▸ HTT P42858 1/20 0.32
▸ RAB9A P51151 1/20 0.32
▸ L3MBTL1 Q9Y468 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
SCHEMBL30941472 1.00 GPR119 (0.35) GPR119NR3C1STSNPC1ALDH1A1
SCHEMBL30940730 0.92 GPR119 (0.34) GPR119NR3C1STS
SCHEMBL25048945 0.92 GPR119 (0.34) GPR119NR3C1STS
SCHEMBL31618059 0.91 CNR1 (0.32) ALDH1A1
SCHEMBL25048212 0.91 CNR1 (0.32) ALDH1A1
SCHEMBL30940926 0.91 CNR1 (0.32) ALDH1A1
SCHEMBL30940799 0.91 GPR119 (0.35) GPR119NR3C1STSNPC1ALDH1A1
SCHEMBL25047969 0.87 GPR119 (0.36) GPR119NR3C1
SCHEMBL30940719 0.87 GPR119 (0.36) GPR119NR3C1
SCHEMBL31617972 0.85 SRC (0.39) GPR119

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-2023017152-A1 SPECIFIC SMALL MOLECULE INHIBITORS THAT BLOCK KMT9 METHYLTRANSFERASE ACTIVITY AND FUNCTION ALBERT-LUDWIGS-UNIVERSITÄT FREIBURG (DE) 2023-02-16 — — WO disclosed
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