SCHEMBL28833971

SCHEMBL28833971

CC(C)(C)OC(=O)N1CCC(C(=O)Nc2cnc3ccccc3c2)C1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 2/20 0.60
TRPV1 Q8NER1 3/20 0.56
PTPN2 P17706 1/20 0.54
PTPN1 P18031 1/20 0.54
PTPN6 P29350 1/20 0.54
NPC1 O15118 3/20 0.52
RAB9A P51151 2/20 0.52
KDM4E B2RXH2 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
HSD17B10 Q99714 2/20 0.52
TP53 P04637 1/20 0.52
ABL1 P00519 1/20 0.51
RIN1 Q13671 1/20 0.51
USP30 Q70CQ3 4/20 0.49
PARP1 P09874 2/20 0.49
PARP2 Q9UGN5 2/20 0.49
HDAC4 P56524 1/20 0.48
HDAC1 Q13547 1/20 0.48
RXRA P19793 1/20 0.47
RXRB P28702 1/20 0.47

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
SCHEMBL29862940 1.00 EPHX2 (0.60) EPHX2TRPV1PTPN2PTPN1PTPN6
SCHEMBL29862953 1.00 EPHX2 (0.60) EPHX2TRPV1PTPN2PTPN1PTPN6
SCHEMBL28833970 1.00 EPHX2 (0.60) EPHX2TRPV1PTPN2PTPN1PTPN6
SCHEMBL28834223 1.00 EPHX2 (0.60) EPHX2TRPV1PTPN2PTPN1PTPN6
SCHEMBL23360626 0.84 EPHX2 (0.59) EPHX2TRPV1NPC1RAB9AKDM4E
SCHEMBL23360629 0.84 EPHX2 (0.59) EPHX2TRPV1NPC1RAB9AKDM4E
SCHEMBL23360653 0.84 EPHX2 (0.59) EPHX2TRPV1NPC1RAB9AKDM4E
SCHEMBL29862543 0.84 MET (0.56) TRPV1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL29862978 0.84 MET (0.56) TRPV1NPC1RAB9AKDM4ESMN1; SMN2
SCHEMBL28834321 0.84 MET (0.56) TRPV1NPC1RAB9AKDM4ESMN1; SMN2

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