SCHEMBL13627714

SCHEMBL13627714

CNC(=O)C1(C)COC(C)(C)OC1

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
KCNA4 P22459 1/20 0.34
KCNA1 Q09470 1/20 0.34
KCNAB1 Q14722 1/20 0.34
MAPK1 P28482 2/20 0.34
CYP3A4 P08684 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
DRD2 P14416 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
SCHEMBL19009022 0.83
SCHEMBL8567866 0.74
SCHEMBL6736593 0.74 THRB (0.36) MAPK1CYP3A4SMN1; SMN2
SCHEMBL1970312 0.74 KCNA4 (0.39) KCNA4KCNA1KCNAB1
SCHEMBL7258460 0.72 KCNA4 (0.43) KCNA4KCNA1KCNAB1MAPK1SMN1; SMN2
SCHEMBL42141 0.72 FFAR3 (0.52) KCNA4KCNA1KCNAB1MAPK1CYP3A4
SCHEMBL19734618 0.71 ALDH1A1 (0.35) KCNA4KCNA1KCNAB1CYP3A4
SCHEMBL21779854 0.71 CYP3A4 (0.32) MAPK1CYP3A4SMN1; SMN2DRD2
SCHEMBL23199626 0.70 CETP (0.42) MAPK1CYP3A4SMN1; SMN2DRD2
Hydrochloric Acid SCHEMBL15522635 0.70 FFAR3 (0.50) KCNA4KCNA1KCNAB1MAPK1SMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 US disclosed
US-7619092-B2 Piperidine compounds MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-11-17 US disclosed