SCHEMBL16627431

SCHEMBL16627431

CCCN(C)Cc1cccnc1

nearest known ligand 0.77

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 4/20 0.77
CHRNA4 P43681 4/20 0.77
CHRNA7 P36544 1/20 0.56
TDP1 Q9NUW8 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51
RIPK1 Q13546 1/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
MAPK1 P28482 1/20 0.47
GRM2 Q14416 1/20 0.47
HIF1A Q16665 1/20 0.46
EPAS1 Q99814 1/20 0.46
OPRK1 P41145 1/20 0.46
OPRM1 P35372 1/20 0.46
OPRL1 P41146 1/20 0.46
LMNA P02545 1/20 0.44

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
SCHEMBL11922687 0.90 CHRNB2 (0.72) CHRNB2CHRNA4CHRNA7TDP1L3MBTL1
SCHEMBL13512579 0.88 CHRNB2 (0.70) CHRNB2CHRNA4CHRNA7TDP1L3MBTL1
SCHEMBL6674571 0.87 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7TDP1L3MBTL1
SCHEMBL31044635 0.87 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7TDP1L3MBTL1
SCHEMBL10028665 0.87 CHRNB2 (0.85) CHRNB2CHRNA4CHRNA7TDP1L3MBTL1
SCHEMBL9827841 0.84 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA7RIPK1KDM4E
SCHEMBL4862940 0.84 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA7RIPK1KDM4E
SCHEMBL30093157 0.83 CHRNB2 (0.79) CHRNB2CHRNA4CHRNA7TDP1L3MBTL1
SCHEMBL9674133 0.83 CHRNB2 (0.67) CHRNB2CHRNA4CHRNA7TDP1L3MBTL1
SCHEMBL16625906 0.81 CHRNB2 (0.65) CHRNB2CHRNA4CHRNA7RIPK1KDM4E

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-2015050472-A1 FUSED INDOLE COMPOUNDS AND METHODS OF USING SAME OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOST'YU "PANACELA LABS" (RU) 2015-04-09 WO disclosed