SCHEMBL16625906

SCHEMBL16625906

CC(C)CCN(C)Cc1cccnc1

nearest known ligand 0.65

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNB2 P17787 3/20 0.65
CHRNA4 P43681 3/20 0.65
CHRNA7 P36544 1/20 0.51
LMNA P02545 1/20 0.48
MAPK1 P28482 1/20 0.47
ALDH1A1 P00352 3/20 0.47
KDM4E B2RXH2 1/20 0.47
HIF1A Q16665 1/20 0.44
EPAS1 Q99814 1/20 0.44
RIPK1 Q13546 1/20 0.43
OPRK1 P41145 1/20 0.43
OPRM1 P35372 1/20 0.43
OPRL1 P41146 1/20 0.43
NAMPT P43490 1/20 0.42

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
SCHEMBL13509698 0.89 CHRNB2 (0.59) CHRNB2CHRNA4CHRNA7LMNAMAPK1
SCHEMBL15699208 0.87 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA7LMNAMAPK1
SCHEMBL13995348 0.85 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA7LMNAALDH1A1
SCHEMBL26239734 0.83 CHRNB2 (0.53) CHRNB2CHRNA4CHRNA7LMNAALDH1A1
SCHEMBL10028665 0.82 CHRNB2 (0.85) CHRNB2CHRNA4CHRNA7LMNAMAPK1
SCHEMBL16627431 0.81 CHRNB2 (0.77) CHRNB2CHRNA4CHRNA7LMNAMAPK1
SCHEMBL11116302 0.81 CHRNB2 (0.56) CHRNB2CHRNA4CHRNA7LMNAMAPK1
SCHEMBL4862940 0.80 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA7LMNAMAPK1
SCHEMBL9827841 0.80 CHRNB2 (0.69) CHRNB2CHRNA4CHRNA7LMNAMAPK1
SCHEMBL6674571 0.79 CHRNB2 (1.00) CHRNB2CHRNA4CHRNA7LMNAMAPK1

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 2 patents. 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
WO-2015050471-A1 CARBAZOLE COMPOUNDS AND METHODS OF USING SAME OBSCHESTVO S OGRANICHENNOY OTVETSTVENNOST'YU "PANACELA LABS" (RU) 2015-04-09 WO disclosed