SCHEMBL1498752

SCHEMBL1498752

CC(C)Cc1cc(CC(C)C)c(N(C2CCCCC2)C2CCCCC2)cc1N

nearest known ligand 0.36

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.36
S1PR3 Q99500 1/20 0.36
AOC3 Q16853 1/20 0.35
ABCB11 O95342 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
AR P10275 1/20 0.33
CYP2D6 P10635 1/20 0.33
SLC6A2 P23975 1/20 0.33
PDE4A P27815 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33
HTT P42858 1/20 0.33
VDR P11473 1/20 0.32

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
SCHEMBL3765920 0.82 S1PR1 (0.33) S1PR1S1PR3VDR
SCHEMBL1498769 0.82 S1PR1 (0.33) S1PR1S1PR3VDR
SCHEMBL3396671 0.75 AOC3 (0.34) S1PR1S1PR3AOC3ABCB11ADORA3
SCHEMBL3434745 0.73 AOC3 (0.35) AOC3ABCB11ADORA3ARCYP2D6
SCHEMBL30301261 0.64 ALOX15 (0.36) ARVDR
SCHEMBL169822 0.64 ALOX15 (0.36) ARVDR
SCHEMBL14897940 0.64 S1PR1 (0.32) S1PR1S1PR3AOC3CYP2D6
SCHEMBL560872 0.63 ALDH1A1 (0.34) VDR
SCHEMBL29779644 0.63 ALDH1A1 (0.34) VDR
SCHEMBL3692899 0.62 KDM4E (0.43) AOC3CYP2D6LMNACYP3A4

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2011506452-A 2011-03-03 JP claimed
EP-2240559-A2 CYCLOALKYL PHENYLENEDIAMINES AS DEPOSIT CONTROL AGENTS FOR LUBRICANTS Chemtura Corporation (US) 2010-10-20 EP claimed
WO-2009076090-A2 CYCLOALKYL PHENYLENEDIAMINES AS DEPOSIT CONTROL AGENTS FOR LUBRICANTS CHEMTURA CORPORATION (US) 2009-06-18 WO claimed
EP-2240559-A2 CYCLOALKYL PHENYLENEDIAMINES AS DEPOSIT CONTROL AGENTS FOR LUBRICANTS Chemtura Corporation (US) 2010-10-20 EP disclosed
WO-2009076090-A2 CYCLOALKYL PHENYLENEDIAMINES AS DEPOSIT CONTROL AGENTS FOR LUBRICANTS CHEMTURA CORPORATION (US) 2009-06-18 WO disclosed