SCHEMBL3239241

SCHEMBL3239241

Cc1ccc(C(=O)N2CC3CCC2CNC3)o1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CHRNA4 P43681 16/20 0.62
CHRNB2 P17787 10/20 0.62
CHRNB4 P30926 10/20 0.62
CHRNA3 P32297 10/20 0.62
CHRNA7 P36544 4/20 0.56
ALDH1A1 P00352 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
HTR3A P46098 1/20 0.39
NR1D1 P20393 1/20 0.38
NPC1 O15118 1/20 0.38
LMNA P02545 1/20 0.38
PKM P14618 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38

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
SCHEMBL3336541 0.91 CHRNA4 (0.71) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3235450 0.85 CHRNA4 (0.61) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3232991 0.78 CHRNA7 (0.60) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3233279 0.78 CHRNA4 (0.39) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3231474 0.78 CHRNA4 (0.62) CHRNA4CHRNB2CHRNB4CHRNA3
SCHEMBL585639 0.77 CHRNA4 (1.00) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3337186 0.76 CHRNA4 (0.71) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3333502 0.76 CHRNA4 (0.71) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3236644 0.76 CHRNA4 (0.62) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7
SCHEMBL3332406 0.75 CHRNA4 (0.68) CHRNA4CHRNB2CHRNB4CHRNA3CHRNA7

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-2010028011-A1 AMIDES OF DIAZABICYCLONONANES AND USES THEREOF TARGACEPT, INC. (US) 2010-03-11 WO claimed
WO-2010028011-A1 AMIDES OF DIAZABICYCLONONANES AND USES THEREOF TARGACEPT, INC. (US) 2010-03-11 WO disclosed