SCHEMBL6152388

SCHEMBL6152388

O=C(/C=C/c1ccccc1Cl)N[C@@H]1CN2CCC1CC2

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.58
RAB9A P51151 3/20 0.58
MAPT P10636 2/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MAOB P27338 1/20 0.51
CHRNA7 P36544 4/20 0.51
HTR3A P46098 2/20 0.50
HTR3E A5X5Y0 1/20 0.50
HTR3B O95264 1/20 0.50
ALOX15 P16050 1/20 0.50
TSHR P16473 1/20 0.50
HTR3D Q70Z44 1/20 0.50
HTR3C Q8WXA8 1/20 0.50
TP53 P04637 1/20 0.50
THRB P10828 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CHRM2 P08172 2/20 0.49
CHRM1 P11229 2/20 0.49

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
SCHEMBL6153915 1.00 NPC1 (0.58) NPC1RAB9AMAPTHDAC1HDAC8
SCHEMBL6153428 1.00 NPC1 (0.58) NPC1RAB9AMAPTHDAC1HDAC8
SCHEMBL6153400 1.00 NPC1 (0.58) NPC1RAB9AMAPTHDAC1HDAC8
SCHEMBL9411964 1.00 NPC1 (0.58) NPC1RAB9AMAPTHDAC1HDAC8
SCHEMBL5988428 1.00 NPC1 (0.58) NPC1RAB9AMAPTHDAC1HDAC8
SCHEMBL6153257 0.85 CHRNA7 (0.51) CHRNA7CHRM2CHRM1CHRM3
SCHEMBL5986977 0.85 CHRNA7 (0.52) CHRNA7HTR3ACHRM2CHRM1CHRM3
SCHEMBL5987676 0.85 CHRNA7 (0.51) CHRNA7CHRM2CHRM1CHRM3
SCHEMBL5987404 0.85 CHRNA7 (0.51) CHRNA7CHRM2CHRM1CHRM3
SCHEMBL5987674 0.85 CHRNA7 (0.51) CHRNA7CHRM2CHRM1CHRM3

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 8 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
EP-1233964-A1 NEW USE AND NOVEL N-AZABICYCLO-AMIDE DERIVATIVES AstraZeneca AB (SE) 2002-08-28 EP disclosed
WO-2001036417-A1 NEW USE AND NOVEL N-AZABICYCLO-AMIDE DERIVATIVES ASTRAZENECA AB (SE) 2001-05-25 WO disclosed