SCHEMBL26645926

SCHEMBL26645926

CC(C)OC(=O)N(C)C1CC(C(C)C)C1

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ADAM10 O14672 1/20 0.32
ERBB2 P04626 1/20 0.32
CHRNB2 P17787 1/20 0.31
CHRNB4 P30926 1/20 0.31
CHRNA3 P32297 1/20 0.31
CHRNA4 P43681 1/20 0.31
LMNA P02545 1/20 0.30
HTT P42858 1/20 0.30
NPSR1 Q6W5P4 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
SCHEMBL21502038 1.00 TSHR (0.33) TSHRADAM10ERBB2CHRNB2CHRNB4
SCHEMBL21150127 0.82 TSHR (0.37) TSHRADAM10ERBB2CHRNB2CHRNB4
SCHEMBL23634215 0.80 CHRNB2 (0.35) CHRNB2CHRNB4CHRNA3CHRNA4LMNA
SCHEMBL17173156 0.80 HSD11B1 (0.41)
SCHEMBL17173155 0.80 HSD11B1 (0.41)
SCHEMBL12206734 0.80 POLB (0.36) TSHR
SCHEMBL19037496 0.78 DPP4 (0.39)
SCHEMBL19037493 0.78 DPP4 (0.39)
SCHEMBL12206717 0.77 TSHR (0.33) TSHRLMNAHTTNPSR1
SCHEMBL12206718 0.77 SLC6A2 (0.38) TSHRADAM10ERBB2CHRNB2CHRNB4

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
EP-3784669-B1 PTERIDINONE COMPOUNDS AND USES THEREOF VERTEX PHARMA (US) 2023-10-25 EP disclosed