SCHEMBL6994648

SCHEMBL6994648

CCOc1nc2ccccc2n1Cc1ccc(-c2ccccc2-c2nc(=O)o[nH]2)cc1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 4/20 0.47
PPARG P37231 4/20 0.47
AGTR1 P30556 3/20 0.47
ABCB11 O95342 1/20 0.47
EGFR P00533 1/20 0.47
ERBB2 P04626 1/20 0.47
CYP3A4 P08684 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CYP2C9 P11712 1/20 0.47
ADRB3 P13945 1/20 0.47
ADRA2B P18089 1/20 0.47
SLC6A2 P23975 1/20 0.47
TBXAS1 P24557 1/20 0.47
HTR2C P28335 1/20 0.47
HTR2B P41595 1/20 0.47
PDE3A Q14432 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.47
MAPT P10636 1/20 0.41

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
SCHEMBL18069705 0.88 AGTR2 (0.52) AGTR2PPARGAGTR1ABCB11EGFR
Azilsartan SCHEMBL284893 0.85 AGTR2 (0.68) AGTR2PPARGAGTR1ABCB11EGFR
Azilsartan SCHEMBL30604716 0.85 AGTR2 (0.68) AGTR2PPARGAGTR1ABCB11EGFR
SCHEMBL13522287 0.85 AGTR2 (0.51) AGTR2PPARGAGTR1ABCB11EGFR
Azilsartan SCHEMBL7017834 0.84 AGTR2 (0.67) AGTR2PPARGAGTR1ABCB11EGFR
Azilsartan SCHEMBL7017842 0.84 AGTR2 (0.67) AGTR2PPARGAGTR1ABCB11EGFR
SCHEMBL28683396 0.83 AGTR2 (0.61) AGTR2PPARGAGTR1
SCHEMBL7017670 0.83 AGTR2 (0.59) AGTR2PPARGAGTR1ABCB11EGFR
Azilsartan SCHEMBL7017839 0.83 AGTR2 (0.57) AGTR2PPARGAGTR1ABCB11EGFR
SCHEMBL844779 0.83 AGTR2 (0.53) AGTR2PPARGAGTR1ABCB11EGFR

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-1356815-A1 ANALGESIC AND ANTIINFLAMMATORY DRUGS Takeda Chemical Industries, Ltd. (JP) 2003-10-29 EP disclosed