SCHEMBL5082818

SCHEMBL5082818

Cc1ccc(C(OCCC2CCCCN2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.49
POLB P06746 1/20 0.43
CACNA2D1 P54289 1/20 0.43
CACNA1B Q00975 1/20 0.43
CACNB1 Q02641 1/20 0.43
KMT2A Q03164 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43

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
SCHEMBL5082824 0.88 SLC6A2 (0.53)
SCHEMBL11447883 0.74 LTA4H (0.50) KDM4E
SCHEMBL4668992 0.74 SCN1A (0.58) CHRNA7KMT2AKDM4E
SCHEMBL2841877 0.74 LTA4H (0.55) POLB
SCHEMBL2841875 0.74 LTA4H (0.55) POLB
SCHEMBL11448239 0.72 LTA4H (0.46) POLB
SCHEMBL678328 0.72 SLC6A3 (0.47) POLBCACNA2D1CACNA1BCACNB1
SCHEMBL11629768 0.72 POLB (0.56) POLBCACNA2D1CACNA1BCACNB1KMT2A
SCHEMBL14160114 0.71 SCN1A (0.55) CHRNA7KMT2AKDM4E
SCHEMBL14160236 0.71 SCN1A (0.55) CHRNA7KMT2AKDM4E

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-2008133884-A2 METHODS AND COMPOSITIONS FOR THE TREATMENT OF NEURODEGENERATIVE DISORDERS COMBINATORX, INCORPORATED (US) 2008-11-06 WO disclosed