SCHEMBL1553960

SCHEMBL1553960

NC(=O)C(C1CCCCC1)N1CCN(C2CCCC2)CC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.47
POLB P06746 2/20 0.45
HSD17B10 Q99714 1/20 0.45
EPHX1 P07099 2/20 0.44
CHRM2 P08172 5/20 0.43
CHRM1 P11229 5/20 0.43
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
KCNH2 Q12809 1/20 0.38
PHGDH O43175 1/20 0.38
MGLL Q99685 1/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL14655522 0.84 EPHX1 (0.52) EPHX1KCNH2
SCHEMBL944062 0.81 EPHX1 (0.46) EPHX1HRH3KCNH2KDM4E
SCHEMBL6187047 0.78 EPHX1 (0.46) SIGMAR1EPHX1KCNH2
SCHEMBL29957200 0.75 CHRM2 (0.44) SIGMAR1POLBHSD17B10CHRM2CHRM1
SCHEMBL1554795 0.75 EPHX2 (0.49) SIGMAR1POLBEPHX1KDM4EALDH1A1
SCHEMBL1555148 0.74 EPHX1 (0.39) POLBEPHX1KDM4E
SCHEMBL1017572 0.72 SIGMAR1 (0.39) SIGMAR1POLBHSD17B10CHRM2CHRM1
SCHEMBL942902 0.71 SIGMAR1 (0.48) SIGMAR1POLBHSD17B10CHRM2CHRM1
SCHEMBL1555261 0.69 SIGMAR1 (0.35) SIGMAR1EPHX1KMT2AKDM4E
SCHEMBL3216528 0.69 POLB (0.55) POLBHSD17B10MEN1KMT2AHRH3

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