SCHEMBL6890186

SCHEMBL6890186

Cc1nc2ccc(N3CCN(C)CC3)cc2c(=O)n1C

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.59
TDO2 P48775 2/20 0.59
IDO2 Q6ZQW0 2/20 0.59
KDM4E B2RXH2 4/20 0.55
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
MAPK14 Q16539 8/20 0.53
DRD2 P14416 2/20 0.49
ALDH1A1 P00352 2/20 0.49
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.49
GLA P06280 1/20 0.49
GAA P10253 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR6 P50406 2/20 0.47
HTR2C P28335 1/20 0.47
HTR7 P34969 1/20 0.47
HTR2B P41595 1/20 0.47
PARG Q86W56 1/20 0.47

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
SCHEMBL6888074 0.83 CHRNA7 (0.47) IDO1TDO2IDO2MAPK14DRD2
SCHEMBL20511901 0.77 KDM4E (0.63) IDO1TDO2IDO2KDM4ENPC1
SCHEMBL7602321 0.76 POLB (0.57) KDM4ENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL6886460 0.75 CHRNA7 (0.52) GAAPARG
SCHEMBL17830817 0.74 TDO2 (1.00) IDO1TDO2IDO2NPC1RAB9A
SCHEMBL16103944 0.74 PARG (0.44) IDO1TDO2IDO2NPC1MAPK14
SCHEMBL11922772 0.74 PARG (0.44) IDO1TDO2IDO2NPC1MAPK14
SCHEMBL17830806 0.74 TDO2 (0.81) IDO1TDO2IDO2KDM4ENPC1
SCHEMBL4745320 0.73 KDM4E (0.56) IDO1TDO2IDO2KDM4ENPC1
SCHEMBL4745451 0.73 KDM4E (0.56) IDO1TDO2IDO2KDM4ENPC1

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-2011045258-A1 CONDENSED AZINE - DERIVATIVES FOR THE TREATMENT OF DISEASES RELATED TO THE ACETYLCHOLINE RECEPTOR N.V. ORGANON (NL) 2011-04-21 WO disclosed