SCHEMBL30328215

SCHEMBL30328215

CC(C)(C)OC(=O)N1CCC2(CC1)CCN(Cc1ccnc(C(F)(F)F)n1)C2=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 2/20 0.40
▸ TACR1 P25103 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ ACHE P22303 2/20 0.39
▸ GRM2 Q14416 2/20 0.39
▸ JAK2 O60674 2/20 0.38
▸ JAK1 P23458 2/20 0.38
▸ CTSB P07858 1/20 0.38
▸ CTSS P25774 1/20 0.38
▸ CTSK P43235 1/20 0.38
▸ HDAC1 Q13547 2/20 0.38
▸ HDAC8 Q9BY41 2/20 0.38
▸ HDAC6 Q9UBN7 2/20 0.38
▸ HRH3 Q9Y5N1 2/20 0.38
▸ USP30 Q70CQ3 1/20 0.37
▸ MAPT P10636 1/20 0.37
▸ RIPK1 Q13546 1/20 0.36
▸ GPR119 Q8TDV5 1/20 0.36
▸ HDAC4 P56524 1/20 0.36

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
SCHEMBL30327869 0.84 GRM2 (0.41) SYKTACR1OPRD1OPRK1GRM2
SCHEMBL30328635 0.82 HDAC1 (0.44) TACR1OPRD1OPRK1JAK2JAK1
SCHEMBL30327982 0.81 USP30 (0.45) SYKTACR1ACHEHRH3USP30
Hydrochloric Acid SCHEMBL30327803 0.79 HCRTR2 (0.38) GRM2
SCHEMBL17608805 0.75 HDAC1 (0.55) TACR1OPRD1OPRK1ACHECTSB
SCHEMBL30328470 0.74 GPR119 (0.42) SYKTACR1OPRD1OPRK1ACHE
SCHEMBL30328170 0.73 USP30 (0.45) SYKACHEJAK2JAK1HRH3
SCHEMBL2335973 0.73 HDAC1 (0.53) OPRD1OPRK1JAK2JAK1CTSB
SCHEMBL31008097 0.73 USP30 (0.43) HDAC1HDAC8HDAC6HRH3USP30
SCHEMBL30327697 0.73 HRH3 (0.44) SYKTACR1HRH3USP30HDAC4

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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