SCHEMBL6830883

SCHEMBL6830883

CC[C@H](O)[C@H](Cc1cccc2nc(-c3ccc(Cl)cc3)oc12)O[Si](C)(C)C(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADA P00813 1/20 0.42
BCHE P06276 1/20 0.37
MTNR1A P48039 5/20 0.37
MTNR1B P49286 5/20 0.37
HTR3A P46098 1/20 0.36
ESR2 Q92731 4/20 0.35
ESR1 P03372 3/20 0.35
DHODH Q02127 1/20 0.34
TARBP2 Q15633 1/20 0.34
MAOA P21397 1/20 0.34
ADRA1A P35348 1/20 0.34
CEPT1 Q9Y6K0 1/20 0.34
MAOB P27338 2/20 0.33
CETP P11597 1/20 0.33
CASP3 P42574 1/20 0.33
SENP8 Q96LD8 1/20 0.33
SENP7 Q9BQF6 1/20 0.33
SENP6 Q9GZR1 1/20 0.33

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
SCHEMBL6831619 0.85 ADA (0.42) ADABCHEHTR3ATARBP2MAOA
SCHEMBL4583166 0.82 ADA (0.51) ADABCHEMTNR1AMTNR1BHTR3A
SCHEMBL6831661 0.78 ADA (0.42) ADABCHEMTNR1AMTNR1BHTR3A
SCHEMBL4583221 0.73 ADA (0.46) ADABCHEMTNR1AMTNR1BHTR3A
SCHEMBL6830817 0.72 ADA (0.41) ADABCHEHTR3ATARBP2MAOA
SCHEMBL4585646 0.72 ADA (0.37) ADABCHEMTNR1AMTNR1BHTR3A
SCHEMBL4585651 0.72 ADA (0.37) ADABCHEMTNR1AMTNR1BHTR3A
SCHEMBL4582949 0.71 HTR3A (0.39) ADABCHEMTNR1AMTNR1BHTR3A
SCHEMBL4582942 0.71 HTR3A (0.39) ADABCHEMTNR1AMTNR1BHTR3A
SCHEMBL4582944 0.71 HTR3A (0.39) ADABCHEMTNR1AMTNR1BHTR3A

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-1474421-A1 IMIDAZOLE 4-CARBOXAMIDE COMPOUNDS WITH ADENOSINE DEAMINASE INHIBITING ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-11-10 EP disclosed
WO-2003068768-A1 IMIDAZOLE 4-CARBOXAMIDE COMPOUNDS WITH ADENOSINE DEAMINASE INHIBITING ACTIVITY FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2003-08-21 WO disclosed