SCHEMBL5136014

SCHEMBL5136014

C#Cc1ccc(N(CC)CCCCCC)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 13/20 0.43
KCNH2 Q12809 2/20 0.40
KDM4E B2RXH2 1/20 0.37
TDP1 Q9NUW8 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
SCHEMBL29768271 0.93 KCNH2 (0.39) CNR2KCNH2
SCHEMBL2829398 0.93 KCNH2 (0.39) CNR2KCNH2
SCHEMBL10027405 0.93 KCNH2 (0.39) CNR2KCNH2
SCHEMBL2829021 0.89 PTPN11 (0.43) CNR2KCNH2
SCHEMBL560649 0.86 EGFR (0.41) CNR2KDM4E
SCHEMBL1099561 0.82 ALDH1A1 (0.52) CNR2KDM4ETDP1
SCHEMBL19035846 0.81 MAPT (0.45) KCNH2
SCHEMBL8028832 0.79 KMT2A (0.42) KDM4ETDP1
SCHEMBL28245187 0.79 CNR2 (0.56) CNR2KCNH2TDP1
SCHEMBL1815516 0.78 CNR2 (0.46) CNR2KCNH2

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-8394506-B2 Substrate and a substituted polyacetylene with a periodic main chain having a helical periodic structure; polyacetylene is inclined on the surface of the substrate with the inclination angle in a range of 60 degrees or more and 90 degrees or less CANON KABUSHIKI KAISHA (JP) 2013-03-12 US disclosed
US-20080220258-A1 HELICAL SUBSTITUTED POLYACETYLENE STRUCTURE, METHOD FOR PRODUCING THE SAME, DEVICE STRUCTURE, ION TRANSPORT FILM AND GAS SEPARATION FILM CANON KABUSHIKI KAISHA (JP) 2008-09-11 US disclosed