SCHEMBL6152578

SCHEMBL6152578

O=C(/C=C/c1cccnc1)N[C@H]1CN2CCC1CC2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 3/20 0.52
CHRNB2 P17787 1/20 0.52
CHRNA4 P43681 1/20 0.52
NAMPT P43490 6/20 0.51
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 1/20 0.48
JUN P05412 1/20 0.48
MAPT P10636 1/20 0.48
NFKB1 P19838 1/20 0.48
MAPK1 P28482 1/20 0.48
GPR55 Q9Y2T6 1/20 0.48
HDAC8 Q9BY41 1/20 0.46
PFKFB3 Q16875 1/20 0.46
HTR3A P46098 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2C9 P11712 1/20 0.45
CHRM2 P08172 1/20 0.45
CHRM1 P11229 1/20 0.45
CHRM3 P20309 1/20 0.45

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
SCHEMBL5988416 1.00 CHRNA7 (0.52) CHRNA7CHRNB2CHRNA4NAMPTNPC1
SCHEMBL6152579 1.00 CHRNA7 (0.52) CHRNA7CHRNB2CHRNA4NAMPTNPC1
SCHEMBL5988419 1.00 CHRNA7 (0.52) CHRNA7CHRNB2CHRNA4NAMPTNPC1
SCHEMBL5988374 0.85 CHRM3 (0.47) CHRNA7JUNNFKB1HTR3ACHRM2
SCHEMBL5988372 0.85 CHRM3 (0.47) CHRNA7JUNNFKB1HTR3ACHRM2
SCHEMBL6152857 0.85 CHRM3 (0.47) CHRNA7JUNNFKB1HTR3ACHRM2
SCHEMBL6152859 0.85 CHRM3 (0.47) CHRNA7JUNNFKB1HTR3ACHRM2
SCHEMBL374845 0.85 CHRNA7 (0.59) CHRNA7HTR3ACHRM2CHRM1CHRM3
SCHEMBL6153668 0.85 CHRNA7 (0.59) CHRNA7HTR3ACHRM2CHRM1CHRM3
SCHEMBL6153288 0.85 CHRNA7 (0.59) CHRNA7HTR3ACHRM2CHRM1CHRM3

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1233964-B1 NEW USE AND NOVEL N-AZABICYCLO-AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2005-06-22 EP claimed
US-6683090-B1 N-(1-AZABICYCLO(2.2.2)OCT-3-YL)PROPENAMIDE DERIVATIVES; PSYCHOTIC AND INTELLECTUAL IMPAIRMENT DISORDERS ASTRAZENECA AB (SE) 2004-01-27 US claimed
EP-1233964-B1 NEW USE AND NOVEL N-AZABICYCLO-AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2005-06-22 EP disclosed
US-6683090-B1 N-(1-AZABICYCLO(2.2.2)OCT-3-YL)PROPENAMIDE DERIVATIVES; PSYCHOTIC AND INTELLECTUAL IMPAIRMENT DISORDERS ASTRAZENECA AB (SE) 2004-01-27 US disclosed