SCHEMBL9883162

SCHEMBL9883162

CC(C)(C)CC(C)(C)CC(C)(C)CN

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.53
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL8583588 0.94 CYP2D6 (0.60) CYP2D6KDM4E
SCHEMBL11982030 0.87 CYP2D6 (0.69) CYP2D6KDM4E
SCHEMBL15972107 0.83 TSHR (0.36) CYP2D6
SCHEMBL7539944 0.83 TSHR (0.36) CYP2D6
SCHEMBL11242160 0.75 CYP2D6 (0.30) CYP2D6
SCHEMBL11430858 0.75 CYP2D6 (0.30) CYP2D6
SCHEMBL12345554 0.75 CYP2D6 (0.53) CYP2D6KDM4E
SCHEMBL20725007 0.75 CYP2D6 (0.53) CYP2D6KDM4E
SCHEMBL11424207 0.75 CYP2D6 (0.30) CYP2D6
SCHEMBL24201112 0.75 CYP2D6 (0.45) CYP2D6KDM4E

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
US-20120126691-A1 ORGANIC ELECTROLUMINESCENCE DEVICE FUJIFILM CORPORATION (JP) 2012-05-24 US disclosed