SCHEMBL6598407

SCHEMBL6598407

CN1CCC(N(C)[S+]([O-])c2ccc(B(O)O)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 18/20 0.40
HTR2C P28335 18/20 0.40
L3MBTL1 Q9Y468 4/20 0.38
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.36
LMNA P02545 1/20 0.35
POLB P06746 1/20 0.35

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
SCHEMBL6034623 0.75 HTR2A (0.72) HTR2AHTR2CL3MBTL1ALDH1A1GAA
SCHEMBL29956663 0.71 KDM4E (0.53) HTR2AHTR2CALDH1A1
SCHEMBL28506409 0.70 MCHR1 (0.48) L3MBTL1ALDH1A1LMNA
SCHEMBL6034633 0.70 HTR2A (0.60) HTR2AHTR2CL3MBTL1ALDH1A1GAA
SCHEMBL18828660 0.70 CA2 (0.35)
SCHEMBL16625302 0.68 CCR5 (0.51)
SCHEMBL29285400 0.67 QDPR (0.54)
SCHEMBL16193540 0.67 ENPP2 (0.38)
SCHEMBL28506326 0.66 MCHR1 (0.58)
SCHEMBL14625146 0.64 DCUN1D1 (0.34) HTR2AHTR2CALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1414801-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 AstraZeneca AB (SE) 2004-05-06 EP claimed
WO-2003004472-A1 ARYLAMINES FOR THE TREATMENT OF CONDITIONS ASSOCIATED WITH GSK-3 ASTRAZENECA AB (SE) 2003-01-16 WO claimed