SCHEMBL28833987

SCHEMBL28833987

CC(C)(C)OC(=O)N1CCC(Nc2ccnc3c(C(F)(F)F)cccc23)C1

nearest known ligand 0.48

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 7/20 0.48
IDH1 O75874 1/20 0.47
PIM1 P11309 2/20 0.46
PIM2 Q9P1W9 2/20 0.46
HDAC4 P56524 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
PARP1 P09874 1/20 0.45
BTK Q06187 1/20 0.44
CNR1 P21554 2/20 0.44
RIPK1 Q13546 1/20 0.43
TRPV1 Q8NER1 1/20 0.43
BRD4 O60885 1/20 0.43
PIK3CD O00329 1/20 0.43

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
SCHEMBL29933518 1.00 USP30 (0.48) USP30IDH1PIM1PIM2HDAC4
SCHEMBL28833998 1.00 USP30 (0.48) USP30IDH1PIM1PIM2HDAC4
SCHEMBL28833986 1.00 USP30 (0.48) USP30IDH1PIM1PIM2HDAC4
SCHEMBL29933501 1.00 USP30 (0.48) USP30IDH1PIM1PIM2HDAC4
SCHEMBL23360477 0.94 ALDH1A1 (0.47) USP30IDH1PIM1PIM2HDAC4
SCHEMBL29862739 0.94 ALDH1A1 (0.47) USP30IDH1PIM1PIM2HDAC4
SCHEMBL29862606 0.93 USP30 (0.49) USP30IDH1PIM1PIM2HDAC4
SCHEMBL28834227 0.93 USP30 (0.49) USP30IDH1PIM1PIM2HDAC4
SCHEMBL29862973 0.93 USP30 (0.49) USP30IDH1PIM1PIM2HDAC4
SCHEMBL28834126 0.93 USP30 (0.49) USP30IDH1PIM1PIM2HDAC4

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
CN-114867719-B Pyrrolidine and piperidine compounds 柳韩洋行 2024-06-25 CN disclosed
CN-114867719-A Pyrrolidine and piperidine compounds 柳韩洋行 2022-08-05 CN disclosed