SCHEMBL18517596

SCHEMBL18517596

CN1C[C@@H]2CN(C(=O)N(C)C)C[C@@H]2C1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 1/20 0.39
MAPT P10636 2/20 0.37
HRH4 Q9H3N8 6/20 0.37
HRH3 Q9Y5N1 2/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
DPP4 P27487 1/20 0.35
DPP8 Q6V1X1 1/20 0.35
DPP9 Q86TI2 1/20 0.35

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
SCHEMBL24127481 1.00 HSD17B10 (0.39) HSD17B10MAPTHRH4HRH3MEN1
SCHEMBL24688969 0.87 HSD17B10 (0.41) HSD17B10MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL18498210 0.83 HSD17B10 (0.39) HSD17B10MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL18498287 0.83 HSD17B10 (0.39) HSD17B10MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL3314634 0.79 MAPT (0.41) HSD17B10MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL23325422 0.79 HSD17B10 (0.41) HSD17B10MAPTHRH4MEN1KMT2A
SCHEMBL24127487 0.77 HSD17B10 (0.37) HSD17B10MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2744311 0.77 DPP4 (0.40) HSD17B10MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL18498161 0.77 CHRNB2 (0.61)
SCHEMBL6757495 0.77 DPP4 (0.40) HSD17B10MAPTMEN1KMT2ASMN1; SMN2

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-2017027687-A1 FUMAGILLOL SPIROCYCLIC COMPOUNDS AND FUSED BICYCLIC COMPOUNDS AND THEIR USE AS METAP2 INHIBITORS ZAFGEN, INC. (US) 2017-02-16 WO disclosed