SCHEMBL7839013

SCHEMBL7839013

CC(C)(C)[Si](C)(C)OC[C@H](CCc1ccccc1)N(N)C(=O)c1c[nH]cn1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADA P00813 2/20 0.32
PPARG P37231 1/20 0.31
PPARA Q07869 1/20 0.31
FAAH O00519 1/20 0.31
PRSS1 P07477 2/20 0.31
CTSG P08311 2/20 0.31
CTRB1 P17538 2/20 0.31
CMA1 P23946 2/20 0.31
MMP2 P08253 1/20 0.30
ADRB2 P07550 1/20 0.30
ADRB1 P08588 1/20 0.30
ADRB3 P13945 1/20 0.30

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
SCHEMBL7452055 0.81 MMP12 (0.34) ADAPPARGPPARAFAAHPRSS1
SCHEMBL7451697 0.72 ADA (0.40) ADAPPARGPPARAFAAH
SCHEMBL7452894 0.71 CNR1 (0.35) CTSGCTRB1
SCHEMBL7451266 0.71 HPGD (0.37) PRSS1CTSGCTRB1CMA1
SCHEMBL7457016 0.70 ADA (0.39) ADAFAAH
SCHEMBL6171825 0.68 DHFR (0.41) MMP2ADRB2ADRB1ADRB3
SCHEMBL6171832 0.68 DHFR (0.41) MMP2ADRB2ADRB1ADRB3
SCHEMBL7456307 0.68 SLC7A5 (0.35) CTSGCTRB1
SCHEMBL7449602 0.67 ADRB2 (0.34) ADAPPARGPPARAPRSS1CTSG
SCHEMBL6171958 0.65 ADA (0.56) ADA

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-1098885-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2001-05-16 EP disclosed
WO-2000005217-A1 IMIDAZOLE COMPOUNDS AND THEIR USE AS ADENOSINE DEAMINASE INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2000-02-03 WO disclosed