SCHEMBL30785512

SCHEMBL30785512

CC(Oc1cccnc1C(F)(F)F)C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ HDAC4 P56524 1/20 0.41
▸ HDAC6 Q9UBN7 1/20 0.41
▸ GPR119 Q8TDV5 3/20 0.41
▸ TRPV1 Q8NER1 2/20 0.40
▸ APLNR P35414 1/20 0.40
▸ USP30 Q70CQ3 4/20 0.40
▸ FNTA P49354 1/20 0.40
▸ FNTB P49356 1/20 0.40
▸ HPGDS O60760 1/20 0.40
▸ POLB P06746 1/20 0.39
▸ TRPV3 Q8NET8 1/20 0.39
▸ RBP4 P02753 1/20 0.38
▸ ANO1 Q5XXA6 1/20 0.38

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
SCHEMBL27158244 1.00 HDAC4 (0.41) HDAC4HDAC6GPR119TRPV1APLNR
SCHEMBL2675233 0.86 GPR119 (0.42) HDAC4HDAC6GPR119TRPV1USP30
SCHEMBL29202347 0.84 USP30 (0.44) HDAC4HDAC6GPR119USP30HPGDS
SCHEMBL27158505 0.84 USP30 (0.44) HDAC4HDAC6GPR119USP30HPGDS
SCHEMBL2675452 0.83 GPR119 (0.41) GPR119USP30POLBRBP4
SCHEMBL30785499 0.81 RBP4 (0.53) GPR119FNTAFNTBRBP4
SCHEMBL29202348 0.81 RBP4 (0.53) GPR119FNTAFNTBRBP4
SCHEMBL30785481 0.81 RBP4 (0.53) GPR119FNTAFNTBRBP4
SCHEMBL27157998 0.81 RBP4 (0.53) GPR119FNTAFNTBRBP4
SCHEMBL13400337 0.78 MAPT (0.49) HDAC4HDAC6GPR119TRPV1USP30

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
CN-117642404-A Small molecule modulators of glucocerebrosidase activity and uses thereof 凡况生化公司 2024-03-01 — — CN disclosed
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