SCHEMBL6601516

SCHEMBL6601516

COc1cccc(-c2ncc(N3CCN4CCC3CC4)s2)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 3/20 0.48
HDAC3 O15379 2/20 0.45
HDAC4 P56524 2/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC7 Q8WUI4 2/20 0.45
HDAC2 Q92769 2/20 0.45
HDAC10 Q969S8 2/20 0.45
HDAC11 Q96DB2 2/20 0.45
HDAC8 Q9BY41 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
HDAC9 Q9UKV0 2/20 0.45
HDAC5 Q9UQL6 2/20 0.45
MAPT P10636 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
NFKB1 P19838 1/20 0.41
RAB9A P51151 1/20 0.41
NFKB2 Q00653 1/20 0.41
RELA Q04206 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
CHRNB2 P17787 1/20 0.40

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 SCHEMBL5675074 0.94 HDAC3 (0.48) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL6600859 0.87 HRH3 (0.46) HRH3HDAC3HDAC4HDAC1HDAC7
SCHEMBL6604301 0.83 HTR3A (0.40) SMN1; SMN2HTR3ALMNA
SCHEMBL5675103 0.82 CHRNA7 (0.41) HRH3MAPTRAB9ASMN1; SMN2HTR3A
Bromide SCHEMBL5675094 0.81 CHRNA7 (0.40) HRH3MAPTRAB9ASMN1; SMN2HTR3A
Oxalic Acid SCHEMBL5673576 0.81 UGCG (0.43) HRH3HDAC3HDAC4HDAC1HDAC7
Oxalic Acid SCHEMBL5673114 0.78 HTR3A (0.36) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL6611520 0.76 RAB9A (0.48) HRH3MAPTNFKB1RAB9ANFKB2
Bromide SCHEMBL6139882 0.75 RAB9A (0.48) HRH3MAPTNFKB1RAB9ANFKB2
SCHEMBL6542495 0.75 HRH3 (0.42) HRH3CHRNB2CHRNA4HTR3A

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