SCHEMBL5811481

SCHEMBL5811481

CN[C@@H](C)c1nnc(C(C)(C)C)o1

nearest known ligand 0.33

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.32
HSD17B10 Q99714 1/20 0.32
DPP4 P27487 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
SCHEMBL2629625 0.79 DPP4 (0.33) DPP4
SCHEMBL21304682 0.75
SCHEMBL22314158 0.75 PKM (0.38)
SCHEMBL20107066 0.75
SCHEMBL5808021 0.75 PKM (0.38)
SCHEMBL22545670 0.72
SCHEMBL5811485 0.71 DPP4 (0.30) DPP4
SCHEMBL5811478 0.71 DPP4 (0.30) DPP4
SCHEMBL2616386 0.69 ELANE (0.31)
SCHEMBL4114072 0.69

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-2006030211-A2 ACYCLIC SULPHONAMIDES VERNALIS (R & D) LIMITED (GB) 2006-03-23 WO disclosed