SCHEMBL6982182

SCHEMBL6982182

O=C(Nc1ccccc1)N1CCN2CCC1CC2

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 4/20 0.56
HTR3A P46098 1/20 0.56
NPC1 O15118 2/20 0.55
RAB9A P51151 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
KDM4E B2RXH2 1/20 0.49
POLB P06746 1/20 0.48
TP53 P04637 1/20 0.48
CHRNA3 P32297 1/20 0.47
BCHE P06276 1/20 0.47
ACHE P22303 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
Bromide SCHEMBL5674373 0.98 CHRNA7 (0.55) CHRNA7HTR3ANPC1RAB9ASMN1; SMN2
SCHEMBL12615189 0.88 POLB (0.60) CHRNA7HTR3ANPC1RAB9ASMN1; SMN2
SCHEMBL12614848 0.80 CHRM3 (0.53) CHRNA7HTR3AKDM4E
SCHEMBL12614451 0.79 KDM4E (0.54) KDM4EPOLBCHRNA3
SCHEMBL4030570 0.76 CHRNA7 (0.60) CHRNA7HTR3ACHRNA3ACHE
SCHEMBL3250162 0.74 CHRNA7 (0.50) CHRNA7NPC1RAB9ASMN1; SMN2KDM4E
SCHEMBL2912984 0.73 CHRNA7 (0.70) CHRNA7HTR3ACHRNA3
SCHEMBL7559030 0.72 CHRNA7 (1.00) CHRNA7HTR3ACHRNA3
SCHEMBL31234028 0.72 SMN1; SMN2 (0.67) NPC1RAB9ASMN1; SMN2KDM4EPOLB
SCHEMBL4186674 0.72 KMT2A (0.76) NPC1RAB9ASMN1; SMN2POLB

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
EP-1165559-B1 1,4-DIAZABICYCLO[3.2.2]NONANE-4-CARBOXYLATE AND CARBOXAMIDE DERIVATIVES, PRODUCTION AND USE THEREOF IN THERAPEUTICS SANOFI SYNTHELABO (FR) 2003-02-19 EP disclosed