SCHEMBL19658205

SCHEMBL19658205

O=C[C@@H]1CCCN1C(=O)CCOCCOCCC(=O)N1CCC[C@H]1C=O

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ SPHK1 Q9NYA1 1/20 0.38
▸ ACE P12821 1/20 0.36
▸ POLB P06746 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.33

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
SCHEMBL14080195 0.79 DPP4 (0.40) ACEPOLB
SCHEMBL6389769 0.79 ACE (0.41) ACEPOLBL3MBTL1
SCHEMBL11432958 0.79 ACE (0.41) ACEPOLBL3MBTL1
SCHEMBL9743696 0.77 NPC1 (0.55) —
SCHEMBL18519489 0.76 DPP4 (0.36) SPHK1POLBL3MBTL1
SCHEMBL14453256 0.75 ACE (0.40) ACE
SCHEMBL19658296 0.75 ACE (0.44) SPHK1ACE
SCHEMBL10421372 0.75 DPP4 (0.56) ACEPOLBL3MBTL1
SCHEMBL4589694 0.75 POLB (0.37) ACEPOLBL3MBTL1
SCHEMBL21430566 0.75 DPP4 (0.56) ACEPOLBL3MBTL1

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-2017205309-A1 INSULIN RECEPTOR PARTIAL AGONISTS MERCK SHARP & DOHME CORP. (US) 2017-11-30 — — WO disclosed
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