SCHEMBL6153353

SCHEMBL6153353

O=C(C#Cc1ccccc1)N[C@@H]1CN2CCC1CC2

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 5/20 0.59
CHRM2 P08172 5/20 0.55
CHRM1 P11229 5/20 0.55
CHRM3 P20309 5/20 0.55
HTR3E A5X5Y0 3/20 0.50
HTR3B O95264 3/20 0.50
HTR3A P46098 3/20 0.50
HTR3D Q70Z44 3/20 0.50
HTR3C Q8WXA8 3/20 0.50

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
SCHEMBL6152696 1.00 CHRNA7 (0.59) CHRNA7CHRM2CHRM1CHRM3HTR3E
SCHEMBL6153443 1.00 CHRNA7 (0.59) CHRNA7CHRM2CHRM1CHRM3HTR3E
SCHEMBL7059619 0.76 CHRNA7 (0.53) CHRNA7HTR3EHTR3BHTR3AHTR3D
SCHEMBL3225472 0.76 CHRNA7 (0.78) CHRNA7CHRM2CHRM1CHRM3HTR3E
SCHEMBL2218010 0.76 CHRNA7 (0.78) CHRNA7CHRM2CHRM1CHRM3HTR3E
SCHEMBL3216388 0.76 CHRNA7 (0.78) CHRNA7CHRM2CHRM1CHRM3HTR3E
Hydrochloric Acid SCHEMBL7278119 0.74 CHRNA7 (0.76) CHRNA7CHRM2CHRM1CHRM3HTR3E
Hydrochloric Acid SCHEMBL18704540 0.74 CHRNA7 (0.76) CHRNA7CHRM2CHRM1CHRM3HTR3E
SCHEMBL3320988 0.74 CHRNA7 (0.58) CHRNA7CHRM2CHRM1CHRM3HTR3E
SCHEMBL3319640 0.74 CHRNA7 (0.58) CHRNA7CHRM2CHRM1CHRM3HTR3E

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 6 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
JP-2003514818-A 2003-04-22 JP claimed
EP-1233964-A1 NEW USE AND NOVEL N-AZABICYCLO-AMIDE DERIVATIVES AstraZeneca AB (SE) 2002-08-28 EP claimed
WO-2001036417-A1 NEW USE AND NOVEL N-AZABICYCLO-AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2001-05-25 WO 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