SCHEMBL24312689

SCHEMBL24312689

CC(C)C1CN(C(=O)N2CC(O)C2)C1

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PIK3CD O00329 4/20 0.36
DPP4 P27487 2/20 0.34
PDK1 Q15118 1/20 0.32
VNN1 O95497 2/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
CHRNB3 Q05901 1/20 0.31
CHRNA6 Q15825 1/20 0.31
HRH3 Q9Y5N1 2/20 0.30
CYP2D6 P10635 1/20 0.30
KCNH2 Q12809 1/20 0.30

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
SCHEMBL27813907 0.81 PDK1 (0.43) DPP4PDK1
SCHEMBL25075386 0.76 HRH3 (0.37) HRH3CYP2D6KCNH2
SCHEMBL19735103 0.75 KDM4E (0.37) PIK3CDDPP4CHRNB2CHRNA3CHRNA4
SCHEMBL7906643 0.75 CHRNB2 (0.48) PIK3CDCHRNB2CHRNA3CHRNA4CHRNB3
SCHEMBL23743935 0.74 CHRNB2 (0.44) PIK3CDDPP4VNN1CHRNB2CHRNA3
SCHEMBL24312690 0.74 DPP4 (0.35) PIK3CDDPP4PDK1
SCHEMBL22327875 0.74 CHRNB2 (0.44) PIK3CDDPP4VNN1CHRNB2CHRNA3
SCHEMBL19735106 0.74 PIK3CD (0.37) PIK3CDVNN1CHRNB2CHRNA3CHRNA4
SCHEMBL26295562 0.74 OPRL1 (0.36) HRH3KCNH2
SCHEMBL10119951 0.73 CHRNB2 (0.57) PIK3CDDPP4CHRNB2CHRNA3CHRNA4

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
WO-2022074459-A2 AUTOTAXIN INHIBITOR COMPOUNDS ILDONG PHARMACEUTICAL CO., LTD. (KR) 2022-04-14 WO disclosed