SCHEMBL24312704

SCHEMBL24312704

CC(C)CC1CN(C(=O)C2CNC2)C1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 19/20 0.44
CHRNA3 P32297 19/20 0.44
CHRNA4 P43681 19/20 0.44
CHRNB4 P30926 17/20 0.44
CHRNA7 P36544 16/20 0.44
DPP4 P27487 1/20 0.36
CHRNB3 Q05901 2/20 0.34
CHRNA6 Q15825 2/20 0.34

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
SCHEMBL24313387 0.77 CHRNB2 (0.46) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL24312699 0.77 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL24449467 0.74 KMT2A (0.52) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL19229732 0.74 PIK3CD (0.44) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL15730403 0.72 CHRNB2 (0.52) CHRNB2CHRNA3CHRNA4CHRNB3CHRNA6
SCHEMBL18532202 0.71 CHRNB2 (0.50) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7
SCHEMBL23338433 0.71 HSD17B10 (0.44) CHRNB2CHRNA4
SCHEMBL24449814 0.69 POLB (0.45)
SCHEMBL24312690 0.69 DPP4 (0.35) DPP4
SCHEMBL31655263 0.69 CHRNB2 (0.48) CHRNB2CHRNA3CHRNA4CHRNB4CHRNA7

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