SCHEMBL13400337

SCHEMBL13400337

C[C@H](Oc1ccc(C(F)(F)F)cc1)C1CCCN(C(=O)OC(C)(C)C)C1

nearest known ligand 0.49

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.49
▸ HDAC4 P56524 2/20 0.44
▸ HDAC6 Q9UBN7 2/20 0.44
▸ LIPE Q05469 2/20 0.43
▸ GPR119 Q8TDV5 3/20 0.41
▸ MMP13 P45452 1/20 0.41
▸ USP30 Q70CQ3 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.41
▸ NPC1 O15118 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ HTT P42858 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.40
▸ TRPV3 Q8NET8 1/20 0.40
▸ TRPV1 Q8NER1 1/20 0.40
▸ STS P08842 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL13122674 0.84 MAPT (0.45) MAPTHDAC4HDAC6LIPEGPR119
SCHEMBL13107110 0.84 MAPT (0.45) MAPTHDAC4HDAC6LIPEGPR119
SCHEMBL13122483 0.84 MAPT (0.45) MAPTHDAC4HDAC6LIPEGPR119
SCHEMBL13107109 0.84 MAPT (0.45) MAPTHDAC4HDAC6LIPEGPR119
SCHEMBL13106854 0.83 MAPT (0.44) MAPTHDAC4HDAC6LIPEGPR119
SCHEMBL27158505 0.81 USP30 (0.44) HDAC4HDAC6GPR119USP30MEN1
SCHEMBL29202347 0.81 USP30 (0.44) HDAC4HDAC6GPR119USP30MEN1
SCHEMBL29280846 0.80 CHEK2 (0.54) MAPTHDAC4HDAC6LIPEGPR119
SCHEMBL30842586 0.80 CHEK2 (0.54) MAPTHDAC4HDAC6LIPEGPR119
SCHEMBL29280843 0.80 CHEK2 (0.54) MAPTHDAC4HDAC6LIPEGPR119

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
US-7692019-B2 Methods for the stereoselective synthesis of substituted piperidines SEPRACOR INC. (US) 2010-04-06 — — US disclosed
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