SCHEMBL13627859

SCHEMBL13627859

COC(=O)NC1CCN(C(=O)CC(C)(C)O)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.43
NAMPT P43490 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALDH1A1 P00352 1/20 0.41
EPHX1 P07099 4/20 0.40
KDM5A P29375 1/20 0.39

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
SCHEMBL13627860 0.77 ALDH1A1 (0.50) EPHX2ALDH1A1EPHX1KDM5A
SCHEMBL13451773 0.76 EPHX2 (0.43) EPHX2EPHX1KDM5A
SCHEMBL13451441 0.76 EPHX2 (0.43) EPHX2EPHX1KDM5A
SCHEMBL17557791 0.75 EPHX2 (0.50) EPHX2NAMPTCYP2C9ALDH1A1EPHX1
SCHEMBL2016955 0.75 EPHX1 (0.68) EPHX2CYP2C9ALDH1A1EPHX1
SCHEMBL16418439 0.74 CTSK (0.42) EPHX2CYP2C9ALDH1A1EPHX1KDM5A
SCHEMBL584795 0.74 GNAI3 (0.50) NAMPTCYP3A4CYP2C9ALDH1A1
SCHEMBL4760808 0.74 CTSK (0.50) EPHX2NAMPTCYP2C9ALDH1A1EPHX1
SCHEMBL4760751 0.74 CTSK (0.50) EPHX2NAMPTCYP2C9ALDH1A1EPHX1
SCHEMBL22900061 0.73 EPHX2 (0.46) EPHX2ALDH1A1EPHX1

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