SCHEMBL1498737

SCHEMBL1498737

CC(C)CNc1ccc(N(C2CCCCC2)C2CCCCC2)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.36
KMT2A Q03164 5/20 0.33
SMN1; SMN2 Q16637 4/20 0.33
NPC1 O15118 2/20 0.33
CACNA1B Q00975 1/20 0.33
MEN1 O00255 4/20 0.33
EPHX1 P07099 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
LMNA P02545 2/20 0.32
HTT P42858 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
HRH3 Q9Y5N1 1/20 0.32
MAPK1 P28482 1/20 0.32
AR P10275 2/20 0.32
ATM Q13315 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31

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
SCHEMBL1498635 0.82 POLB (0.36) RAB9AKMT2ASMN1; SMN2MEN1ALDH1A1
SCHEMBL3688469 0.82 RAB9A (0.42) RAB9AKMT2ASMN1; SMN2NPC1MEN1
SCHEMBL1498732 0.80 TDP1 (0.41) RAB9AKMT2ASMN1; SMN2NPC1MEN1
SCHEMBL3698112 0.79 ALDH1A1 (0.46) RAB9AKMT2ASMN1; SMN2NPC1CACNA1B
SCHEMBL1498813 0.77 RAB9A (0.38) RAB9AKMT2ASMN1; SMN2NPC1MEN1
SCHEMBL11476717 0.76 JAK3 (0.38) RAB9AKMT2ASMN1; SMN2NPC1MEN1
SCHEMBL4492651 0.75 HRH4 (0.38) RAB9AKMT2ASMN1; SMN2NPC1MEN1
SCHEMBL1498709 0.75 ABL1 (0.40) RAB9AKMT2AMEN1EPHX1
SCHEMBL146034 0.73 IDO1 (0.45) SMN1; SMN2ALDH1A1ARCYP3A4
SCHEMBL17845409 0.72 SMN1; SMN2 (0.56) RAB9AKMT2ASMN1; SMN2NPC1ALDH1A1

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