SCHEMBL31013916

SCHEMBL31013916

CN(C)CCOc1cc2c(c(C(F)F)c1)CN(C(=O)OC(C)(C)C)CC2

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ MGLL Q99685 1/20 0.45
▸ ABHD6 Q9BV23 1/20 0.45
▸ ESR2 Q92731 1/20 0.43
▸ NR1H2 P55055 1/20 0.42
▸ GPR119 Q8TDV5 10/20 0.39
▸ MAPT P10636 1/20 0.37
▸ TRAP1 Q12931 1/20 0.36
▸ PDE10A Q9Y233 1/20 0.36
▸ MTHFD2 P13995 1/20 0.35
▸ PRMT5 O14744 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
SCHEMBL30156757 0.85 ESR2 (0.45) MGLLABHD6ESR2NR1H2GPR119
SCHEMBL24913916 0.85 ESR2 (0.45) MGLLABHD6ESR2NR1H2GPR119
SCHEMBL31014030 0.83 ESR2 (0.43) MGLLABHD6ESR2NR1H2GPR119
SCHEMBL31013952 0.83 ESR2 (0.43) MGLLABHD6ESR2NR1H2GPR119
SCHEMBL31014042 0.82 ESR2 (0.43) MGLLABHD6ESR2NR1H2GPR119
SCHEMBL31013888 0.79 NR1H2 (0.61) MGLLABHD6ESR2NR1H2GPR119
SCHEMBL31014031 0.79 ESR2 (0.62) MGLLABHD6ESR2NR1H2GPR119
SCHEMBL31013911 0.79 GPR119 (0.41) MGLLABHD6ESR2NR1H2GPR119
SCHEMBL31013971 0.76 MGLL (0.48) MGLLABHD6ESR2NR1H2GPR119
SCHEMBL5100452 0.76 ESR2 (0.60) MGLLABHD6ESR2NR1H2GPR119

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-4651955-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2025-11-26 — — EP disclosed
WO-2024153947-A1 INHIBITOR COMPOUNDS Neophore Limited (GB) 2024-07-25 — — WO disclosed
Send feedback