SCHEMBL24072255

SCHEMBL24072255

CCC(C)CCN(C)C(CC)C(N)=O

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31

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
SCHEMBL5034972 0.76 CA1 (0.35) CA1CA2
SCHEMBL18727480 0.71
SCHEMBL19432853 0.71
SCHEMBL572461 0.71
SCHEMBL24515014 0.69 SLC2A1 (0.32)
SCHEMBL22912887 0.68 USP2 (0.36) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL22607233 0.67 ACE2 (0.41) CA1CA2
SCHEMBL10139549 0.67 CHRNB2 (0.31) CHRNB2CHRNB4CHRNA4
SCHEMBL15809588 0.67 MAPT (0.33) CHRNB2CHRNB4CHRNA3CHRNA4
SCHEMBL28201654 0.67 CA1 (0.41) CA1CA2

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-2021242923-A1 TLR2 MODULATOR COMPOUNDS, PHARMACEUTICAL COMPOSITIONS AND USES THEREOF AXIAL THERAPEUTICS, INC. (US) 2021-12-02 WO disclosed