SCHEMBL29862929

SCHEMBL29862929

CC(C)(C)OC(=O)N1CC[C@@H](Nc2cc(C(F)(F)F)cc3ncccc23)C1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 1/20 0.48
CNR1 P21554 3/20 0.46
USP30 Q70CQ3 5/20 0.46
PIK3CD O00329 1/20 0.46
MET P08581 1/20 0.44
TRPV1 Q8NER1 1/20 0.44
SYK P43405 1/20 0.44
BRD4 O60885 1/20 0.44
IDH1 O75874 1/20 0.44
BTK Q06187 1/20 0.43
STS P08842 1/20 0.43
HDAC4 P56524 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
PIK3CA P42336 1/20 0.42

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
SCHEMBL28833973 1.00 TACR1 (0.48) TACR1CNR1USP30PIK3CDMET
SCHEMBL28833974 1.00 TACR1 (0.48) TACR1CNR1USP30PIK3CDMET
SCHEMBL29862440 1.00 TACR1 (0.48) TACR1CNR1USP30PIK3CDMET
SCHEMBL28833985 1.00 TACR1 (0.48) TACR1CNR1USP30PIK3CDMET
SCHEMBL29863261 0.89 USP30 (0.47) CNR1USP30PIK3CDBRD4BTK
SCHEMBL28833993 0.89 USP30 (0.47) CNR1USP30PIK3CDBRD4BTK
SCHEMBL29862687 0.89 USP30 (0.47) CNR1USP30PIK3CDBRD4BTK
SCHEMBL28833994 0.89 USP30 (0.47) CNR1USP30PIK3CDBRD4BTK
SCHEMBL28834141 0.89 USP30 (0.47) CNR1USP30PIK3CDBRD4BTK
SCHEMBL23359881 0.87 CRHR1 (0.41) TACR1TRPV1SYK

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