SCHEMBL3940084

SCHEMBL3940084

CC(=O)N[C@@H]1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 1/20 0.48
▸ HSD17B10 Q99714 1/20 0.48
▸ EPHX1 P07099 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ LMNA P02545 1/20 0.43
▸ NPSR1 Q6W5P4 1/20 0.43
▸ ALDH1A1 P00352 2/20 0.41
▸ TSHR P16473 1/20 0.41
▸ HPGD P15428 1/20 0.41
▸ SCN4A P35499 1/20 0.41
▸ MEN1 O00255 1/20 0.40
▸ KMT2A Q03164 1/20 0.40

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
SCHEMBL28943307 0.87 HSD17B10 (0.51) NPC1HSD17B10EPHX1SMN1; SMN2LMNA
SCHEMBL9078128 0.87 HSD17B10 (0.48) NPC1HSD17B10EPHX1SMN1; SMN2LMNA
SCHEMBL2684345 0.83 HSD17B10 (0.50) NPC1HSD17B10EPHX1SMN1; SMN2LMNA
SCHEMBL4244079 0.83 HSD17B10 (0.50) NPC1HSD17B10EPHX1SMN1; SMN2LMNA
SCHEMBL29571557 0.83 SMN1; SMN2 (0.45) NPC1HSD17B10EPHX1SMN1; SMN2LMNA
SCHEMBL1319725 0.81 EPHX1 (0.47) NPC1HSD17B10EPHX1SMN1; SMN2LMNA
SCHEMBL27982366 0.81 HSD17B10 (0.48) NPC1HSD17B10EPHX1SMN1; SMN2LMNA
SCHEMBL27982374 0.81 HSD17B10 (0.48) NPC1HSD17B10EPHX1SMN1; SMN2LMNA
SCHEMBL30438366 0.80 EPHX1 (0.46) NPC1HSD17B10EPHX1SMN1; SMN2ALDH1A1
SCHEMBL28232406 0.79 HSD17B10 (0.47) NPC1HSD17B10EPHX1SMN1; SMN2LMNA

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-2009016410-A2 CHEMICAL COMPOUNDS 831 ASTRAZENECA AB (SE) 2009-02-05 — — WO disclosed
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