SCHEMBL12469831

SCHEMBL12469831

c1ccc2c(c1)c1ccccc1n2-c1ccc2c(c1)c1cc(-n3c4ccccc4c4ccccc43)ccc1n2CC1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 1/20 0.52
CNR2 P34972 3/20 0.48
RORC P51449 5/20 0.47
RORA P35398 2/20 0.46
RORB Q92753 2/20 0.46
PTGER4 P35408 3/20 0.44
CNR1 P21554 2/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TMEM97 Q5BJF2 1/20 0.41
SIGMAR1 Q99720 1/20 0.41
ACHE P22303 1/20 0.40
SLC2A1 P11166 1/20 0.39
ATM Q13315 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39

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
SCHEMBL7140681 0.85 NPC1 (0.53) NPC1CNR2RORCRORARORB
SCHEMBL19179039 0.80 CYP1A2 (0.50) NPC1CNR2RORCPTGER4CNR1
SCHEMBL26829115 0.80 ALDH1A1 (0.43) KDM4EALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL4779304 0.78 PTGER4 (0.54) NPC1CNR2RORCRORARORB
SCHEMBL22618673 0.78 KDM4E (0.44) KDM4EALDH1A1NPSR1TMEM97SIGMAR1
SCHEMBL5795412 0.77 CYP1A2 (0.54) NPC1CNR2RORCRORARORB
SCHEMBL12216223 0.76 DHFR (0.61) NPC1CNR2RORCRORARORB
SCHEMBL16542755 0.76 L3MBTL1 (0.37) CNR2PTGER4KDM4EALDH1A1HSD17B10
SCHEMBL17938383 0.75 PTGER4 (0.56) NPC1CNR2RORCRORARORB
SCHEMBL21578475 0.75 KDM4E (0.67) KDM4EALDH1A1HSD17B10ATML3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8987472-B2 N-cycloalkylalkyl triscarbazoles SOLVAY SA (BE) 2015-03-24 US disclosed
US-8987472-B2 N-cycloalkylalkyl triscarbazoles SOLVAY SA (BE) 2015-03-24 US disclosed
EP-2627633-B1 N-CYCLOALKYLALKYL TRISCARBAZOLES Solvay Société Anonyme (BE) 2015-03-04 EP disclosed
EP-2627633-B1 N-CYCLOALKYLALKYL TRISCARBAZOLES Solvay Société Anonyme (BE) 2015-03-04 EP disclosed
EP-2627633-A1 N-CYCLOALKYLALKYL TRISCARBAZOLES SOLVAY (Société Anonyme) (BE) 2013-08-21 EP disclosed
WO-2012048821-A1 N-CYCLOALKYLALKYL TRISCARBAZOLES SOLVAY SOCIETE ANONYME (BE) 2012-04-19 WO disclosed