SCHEMBL6153434

SCHEMBL6153434

COc1ccc(/C=C/C(=O)N[C@H]2CN3CCC2CC3)cc1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
HDAC8 Q9BY41 2/20 0.53
HDAC6 Q9UBN7 2/20 0.53
NPC1 O15118 2/20 0.50
ALDH1A1 P00352 2/20 0.50
RAB9A P51151 2/20 0.50
HDAC4 P56524 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
MAPT P10636 3/20 0.49
KDM4E B2RXH2 1/20 0.49
TP53 P04637 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
THRB P10828 1/20 0.49
MMP1 P03956 1/20 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
SCHEMBL6153436 1.00 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5987520 1.00 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL5987517 1.00 HDAC3 (0.53) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL9412033 0.88 ALDH1A1 (0.44) ALDH1A1MAPTKDM4ETP53SMN1; SMN2
Hydrochloric Acid SCHEMBL9411999 0.87 ALDH1A1 (0.46) ALDH1A1MAPTKDM4ETP53SMN1; SMN2
SCHEMBL6153370 0.86 TP53 (0.51) NPC1ALDH1A1RAB9AMAPTTP53
SCHEMBL5987493 0.86 TP53 (0.51) NPC1ALDH1A1RAB9AMAPTTP53
SCHEMBL5987496 0.86 TP53 (0.51) NPC1ALDH1A1RAB9AMAPTTP53
SCHEMBL6153372 0.86 TP53 (0.51) NPC1ALDH1A1RAB9AMAPTTP53
SCHEMBL9411988 0.86 CHRNA7 (0.51) SMN1; SMN2

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 5 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
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