SCHEMBL6032840

SCHEMBL6032840

CN1CC2CN(c3cc(-c4ccccc4)on3)CC2C1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.55
HTR3A P46098 1/20 0.55
CHRNB4 P30926 1/20 0.55
CHRNA3 P32297 1/20 0.55
CHRNB2 P17787 1/20 0.47
CHRNA4 P43681 1/20 0.47
RAB9A P51151 4/20 0.45
NPC1 O15118 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
NOTUM Q6P988 1/20 0.42
SCD O00767 1/20 0.41
SCD5 Q86SK9 1/20 0.41
ALDH1A1 P00352 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CXCR1 P25024 2/20 0.40
CASP3 P42574 1/20 0.40
SENP8 Q96LD8 1/20 0.40
SENP7 Q9BQF6 1/20 0.40
SENP6 Q9GZR1 1/20 0.40

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
SCHEMBL928164 0.84 NPC1 (0.42) CHRNA7HTR3ACHRNB4CHRNA3RAB9A
SCHEMBL929140 0.77 SCD5 (0.53) RAB9ANPC1SMN1; SMN2SCDSCD5
SCHEMBL929110 0.74 CHRNA7 (0.55) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2
SCHEMBL13876157 0.72 SLC6A2 (0.56) HTR3ARAB9ANPC1SMN1; SMN2NOTUM
SCHEMBL18016312 0.71 CHRNA7 (1.00) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2
SCHEMBL29422976 0.71 CHRNA7 (1.00) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2
SCHEMBL14479461 0.71 CHRNA7 (1.00) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2
SCHEMBL676044 0.71 CHRNA7 (1.00) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2
SCHEMBL29366074 0.71 CHRNA7 (1.00) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2
SCHEMBL930386 0.71 CHRNA7 (0.61) CHRNA7HTR3ACHRNB4CHRNA3CHRNB2

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
EP-1664045-A1 SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES AS LIGANDS AT ALPHA 7 NICOTINIC ACETYLCHOLINE RECEPTORS Abbott Laboratories (US) 2006-06-07 EP disclosed
WO-2005028477-A1 SUBSTITUTED DIAZABICYCLOALKANE DERIVATIVES AS LIGANDS AT ALPHA 7 NICOTINIC ACETY LCHOLINE RECEPTORS ABBOTT LABORATORIES (US) 2005-03-31 WO disclosed