SCHEMBL30328455

SCHEMBL30328455

CC(C)(C)OC(=O)N1CCC2(CC1)CC(COc1cccc(C(F)(F)F)n1)C2

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ GPR119 Q8TDV5 8/20 0.50
▸ IDH1 O75874 2/20 0.49
▸ IDH2 P48735 1/20 0.49
▸ NAMPT P43490 4/20 0.45
▸ CNR2 P34972 2/20 0.42
▸ HCRTR2 O43614 1/20 0.42
▸ HTR1A P08908 1/20 0.41
▸ TGFBR1 P36897 1/20 0.40

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
SCHEMBL27158820 0.87 IDH1 (0.52) GPR119IDH1IDH2TGFBR1
SCHEMBL30328982 0.85 IDH1 (0.49) GPR119IDH1IDH2NAMPTHCRTR2
SCHEMBL30328847 0.84 IDH1 (0.50) GPR119IDH1IDH2NAMPTCNR2
SCHEMBL27157988 0.83 IDH1 (0.48) GPR119IDH1IDH2NAMPTCNR2
SCHEMBL30328384 0.82 IDH1 (0.49) GPR119IDH1IDH2NAMPTCNR2
SCHEMBL27157813 0.82 LOXL2 (0.51) GPR119IDH1IDH2
SCHEMBL30328612 0.82 GPR119 (0.58) GPR119NAMPT
SCHEMBL30327861 0.82 LIPE (0.49) GPR119NAMPT
SCHEMBL23867971 0.81 MGLL (0.56) GPR119IDH1IDH2NAMPTHTR1A
SCHEMBL29469949 0.81 MGLL (0.56) GPR119IDH1IDH2NAMPTHTR1A

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-4415706-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF Vanqua Bio, Inc. (US) 2024-08-21 — — EP disclosed
WO-2023064343-A1 SMALL MOLECULE MODULATORS OF GLUCOCEREBROSIDASE ACTIVITY AND USES THEREOF VANQUA BIO, INC. (US) 2023-04-20 — — WO disclosed
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