SCHEMBL1554899

SCHEMBL1554899

CC(C)(C)OC(=O)N1CC2CC1CN2CCC(=O)NC1CCCCC1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.44
HPGD P15428 1/20 0.40
CCR2 P41597 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
HSD11B1 P28845 1/20 0.38
GAA P10253 1/20 0.38
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.36

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
SCHEMBL1554221 0.82 ALDH1A1 (0.48) EPHX1HPGDSIGMAR1ALDH1A1SMN1; SMN2
SCHEMBL5859760 0.77 HSD11B1 (0.45) CCR2HSD11B1
SCHEMBL30117192 0.77 HSD11B1 (0.45) CCR2HSD11B1
SCHEMBL24745145 0.77 HSD11B1 (0.45) CCR2HSD11B1
SCHEMBL28424700 0.76 HSD11B1 (0.41) CCR2HSD11B1
SCHEMBL34473728 0.76 HSD11B1 (0.44) CCR2HSD11B1
SCHEMBL30722926 0.76 HSD11B1 (0.44) CCR2HSD11B1
SCHEMBL19415337 0.76 HSD11B1 (0.44) CCR2HSD11B1
SCHEMBL15366822 0.76 HSD11B1 (0.44) CCR2HSD11B1
SCHEMBL15366820 0.76 HSD11B1 (0.44) CCR2HSD11B1

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-2011000945-A9 AMINOALKAMIDES FOR USE IN THE TREATMENT OF INFLAMMATORY, DEGENERATIVE OR DEMYELINATING DISEASES OF THE CNS NENSIUS RESEARCH A/S (DK) 2011-04-07 WO disclosed