SCHEMBL6922679

SCHEMBL6922679

NCN1CCn2c(nc3cc(-c4ccccn4)ccc3c2=O)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRMT5 O14744 2/20 0.43
WDR77 Q9BQA1 1/20 0.43
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41
TDP1 Q9NUW8 2/20 0.41
NSD2 O96028 1/20 0.39
CYP3A4 P08684 1/20 0.38
METAP2 P50579 2/20 0.38
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 1/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
BCHE P06276 1/20 0.37
CFTR P13569 1/20 0.37
ALOX15 P16050 1/20 0.37
ACHE P22303 1/20 0.37
HKDC1 Q2TB90 1/20 0.37
HSD17B10 Q99714 1/20 0.37
GOPC Q9HD26 1/20 0.37
L3MBTL1 Q9Y468 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
SCHEMBL6922859 0.87 NPC1 (0.39) PRMT5WDR77NPC1RAB9ATDP1
SCHEMBL6920968 0.84 NPC1 (0.42) NPC1RAB9ATDP1NSD2CYP3A4
SCHEMBL6922198 0.80 ALDH1A1 (0.60) NPC1RAB9ATDP1NSD2ALDH1A1
SCHEMBL6923865 0.80 NPC1 (0.42) PRMT5WDR77NPC1RAB9ATDP1
SCHEMBL12059057 0.80 NPC1 (0.42) PRMT5WDR77NPC1RAB9ATDP1
SCHEMBL6920766 0.80 POLB (0.41) NPC1RAB9ATDP1NSD2ALDH1A1
SCHEMBL12059328 0.79 MEN1 (0.60) NPC1RAB9ATDP1NSD2ALDH1A1
SCHEMBL12059061 0.79 NPC1 (0.41) NPC1RAB9ATDP1NSD2CYP3A4
SCHEMBL6924136 0.78 MEN1 (0.62) NPC1RAB9ATDP1NSD2ALDH1A1
SCHEMBL6922421 0.78 NPC1 (0.48) NPC1RAB9ATDP1NSD2CYP3A4

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
WO-2011075699-A2 COMPOUNDS FOR TREATING DISORDERS MEDIATED BY METABOTROPIC GLUTAMATE RECEPTOR 5, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2011-06-23 WO disclosed