SCHEMBL3873328

SCHEMBL3873328

CCOc1nc2cccc(C(=O)OC)c2n1CB1OCC(C)(C)CO1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.38
AGTR2 P50052 3/20 0.38
CYP3A4 P08684 2/20 0.38
ADORA3 P0DMS8 2/20 0.38
ADRA2B P18089 2/20 0.38
SLC6A2 P23975 2/20 0.38
PPARG P37231 2/20 0.38
HTR2B P41595 2/20 0.38
PDE3A Q14432 2/20 0.38
ABCB11 O95342 1/20 0.38
EGFR P00533 1/20 0.38
ERBB2 P04626 1/20 0.38
CYP2C9 P11712 1/20 0.38
ADRB3 P13945 1/20 0.38
TBXAS1 P24557 1/20 0.38
HTR2C P28335 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
MTNR1A P48039 1/20 0.36
MTNR1B P49286 1/20 0.36
KMT2A Q03164 3/20 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
SCHEMBL3871581 0.92 AGTR2 (0.41) AGTR1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL3945157 0.90 AGTR1 (0.46) AGTR1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL17671294 0.77 AGTR2 (0.48) AGTR1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL21083906 0.75 AGTR1 (0.47) AGTR1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL22533557 0.74 AGTR2 (0.51) AGTR1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL3176403 0.73 AGTR2 (0.52) AGTR1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL3977106 0.71 AGTR2 (0.62) AGTR1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL21168140 0.69 AGTR2 (0.59) AGTR1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL30206864 0.69 PPARG (0.59) AGTR1AGTR2CYP3A4ADORA3ADRA2B
SCHEMBL7018017 0.69 PPARG (0.59) AGTR1AGTR2CYP3A4ADORA3ADRA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1833801-B9 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF ANGIOTENSIN II RECEPTOR ANTAGONISTS ALGRY QUIMICA S L (ES) 2009-02-25 EP claimed
EP-1833801-B1 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF ANGIOTENSIN II RECEPTOR ANTAGONISTS ALGRY QUIMICA S L (ES) 2008-06-04 EP claimed
EP-1833801-A2 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF ANGIOTENSIN II RECEPTOR ANTAGONISTS ALGRY QUIMICA, S.L (ES) 2007-09-19 EP claimed
WO-2006067215-A2 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF ANGIOTENSIN II RECEPTOR ANTAGONISTS ALGRY QUÍMICA, S. L. (ES) 2006-06-29 WO claimed
EP-1833801-B9 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF ANGIOTENSIN II RECEPTOR ANTAGONISTS ALGRY QUIMICA S L (ES) 2009-02-25 EP disclosed
EP-1833801-B1 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF ANGIOTENSIN II RECEPTOR ANTAGONISTS ALGRY QUIMICA S L (ES) 2008-06-04 EP disclosed
EP-1833801-A2 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF ANGIOTENSIN II RECEPTOR ANTAGONISTS ALGRY QUIMICA, S.L (ES) 2007-09-19 EP disclosed
WO-2006067215-A2 INTERMEDIATE COMPOUNDS FOR THE PREPARATION OF ANGIOTENSIN II RECEPTOR ANTAGONISTS ALGRY QUÍMICA, S. L. (ES) 2006-06-29 WO disclosed