SCHEMBL6604301

SCHEMBL6604301

Brc1cccc(-c2ncc(N3CCN4CCC3CC4)s2)c1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 3/20 0.40
KCNH2 Q12809 1/20 0.40
CHRNA7 P36544 4/20 0.37
LMNA P02545 1/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
SLC6A3 Q01959 2/20 0.34
DCTPP1 Q9H773 1/20 0.34

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 SCHEMBL5673114 0.93 HTR3A (0.36) HTR3AKCNH2
SCHEMBL5675103 0.84 CHRNA7 (0.41) HTR3ACHRNA7SMN1; SMN2
SCHEMBL6601516 0.83 HRH3 (0.48) HTR3ALMNASMN1; SMN2
Bromide SCHEMBL5675094 0.83 CHRNA7 (0.40) HTR3ACHRNA7SMN1; SMN2
Oxalic Acid SCHEMBL5675074 0.78 HDAC3 (0.48) HPGDSMN1; SMN2
SCHEMBL5358073 0.75 CHRNA7 (0.36) HTR3ACHRNA7SMN1; SMN2
SCHEMBL6542495 0.74 HRH3 (0.42) HTR3AKCNH2CHRNA7
SCHEMBL6600859 0.74 HRH3 (0.46) HTR3ACHRNA7SMN1; SMN2
Bromide SCHEMBL5673167 0.73 HRH3 (0.41) HTR3AKCNH2CHRNA7
SCHEMBL1689004 0.71 CHRNA7 (0.64) HTR3AKCNH2CHRNA7SMN1; 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 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