SCHEMBL6600859

SCHEMBL6600859

COc1ccc(-c2ncc(N3CCN4CCC3CC4)s2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 6/20 0.46
UGCG Q16739 2/20 0.41
HDAC3 O15379 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC1 Q13547 2/20 0.40
HDAC7 Q8WUI4 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC10 Q969S8 2/20 0.40
HDAC11 Q96DB2 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
HDAC6 Q9UBN7 2/20 0.40
HDAC9 Q9UKV0 2/20 0.40
HDAC5 Q9UQL6 2/20 0.40
HTR3A P46098 1/20 0.38
PDE4A P27815 1/20 0.38
CSNK2A2 P19784 1/20 0.37
CSNK2A1 P68400 1/20 0.37
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MAPT P10636 2/20 0.37

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
Oxalic Acid SCHEMBL5673576 0.93 UGCG (0.43) HRH3UGCGHDAC3HDAC4HDAC1
SCHEMBL6601516 0.87 HRH3 (0.48) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL5675103 0.83 CHRNA7 (0.41) HRH3HTR3AALDH1A1MAPTNPC1
Bromide SCHEMBL5675094 0.82 CHRNA7 (0.40) HRH3HTR3AALDH1A1MAPTNPC1
Oxalic Acid SCHEMBL5675074 0.81 HDAC3 (0.48) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL6542495 0.75 HRH3 (0.42) HRH3HTR3ACHRNA7
SCHEMBL6604301 0.74 HTR3A (0.40) HTR3ASMN1; SMN2CHRNA7
Bromide SCHEMBL5673167 0.74 HRH3 (0.41) HRH3HTR3ACHRNA7
SCHEMBL5358073 0.73 CHRNA7 (0.36) HTR3AKDM4EALDH1A1HSD17B10RAB9A
SCHEMBL2112299 0.70 CHRNA7 (0.73) HTR3AKDM4EALDH1A1MAPTTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1289987-B1 4-(2-PHENYLTHIAZOL-5-YL)-1,4-DIAZABICYCLO- 3.2.2]NONANE DERIVATIVES, PREPARATION AND THERAPEUTIC USE THEREOF SANOFI SYNTHELABO (FR) 2004-05-19 EP disclosed