SCHEMBL6153370

SCHEMBL6153370

COc1cccc(/C=C/C(=O)N[C@H]2CN3CCC2CC3)c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.51
MMP1 P03956 2/20 0.50
MMP2 P08253 2/20 0.50
MMP9 P14780 2/20 0.50
BCHE P06276 2/20 0.49
ACHE P22303 1/20 0.49
MAPT P10636 3/20 0.49
MEN1 O00255 1/20 0.49
NPC1 O15118 1/20 0.49
NFKB1 P19838 1/20 0.49
RAB9A P51151 1/20 0.49
NFKB2 Q00653 1/20 0.49
KMT2A Q03164 1/20 0.49
RELA Q04206 1/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MAOB P27338 1/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
DRD2 P14416 1/20 0.48
DRD3 P35462 1/20 0.48

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
SCHEMBL5987496 1.00 TP53 (0.51) TP53MMP1MMP2MMP9BCHE
SCHEMBL5987493 1.00 TP53 (0.51) TP53MMP1MMP2MMP9BCHE
SCHEMBL6153372 1.00 TP53 (0.51) TP53MMP1MMP2MMP9BCHE
SCHEMBL9411995 0.88 MEN1 (0.50) MEN1NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL6153436 0.86 HDAC3 (0.53) TP53MMP1MMP2MMP9MAPT
SCHEMBL5987520 0.86 HDAC3 (0.53) TP53MMP1MMP2MMP9MAPT
SCHEMBL6153434 0.86 HDAC3 (0.53) TP53MMP1MMP2MMP9MAPT
SCHEMBL5987517 0.86 HDAC3 (0.53) TP53MMP1MMP2MMP9MAPT
SCHEMBL5988093 0.84 HTR3A (0.41) MEN1KMT2ACHRNA7
SCHEMBL6152533 0.84 HTR3A (0.41) MEN1KMT2ACHRNA7

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