SCHEMBL31364599

SCHEMBL31364599

CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2C(N)=O)cc1

nearest known ligand 0.89

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PPARG P37231 5/20 0.70
AGTR1 P30556 2/20 0.70
ABCB11 O95342 1/20 0.70
EGFR P00533 1/20 0.70
ERBB2 P04626 1/20 0.70
CYP3A4 P08684 1/20 0.70
ADORA3 P0DMS8 1/20 0.70
CYP2C9 P11712 1/20 0.70
ADRB3 P13945 1/20 0.70
ADRA2B P18089 1/20 0.70
SLC6A2 P23975 1/20 0.70
TBXAS1 P24557 1/20 0.70
HTR2C P28335 1/20 0.70
HTR2B P41595 1/20 0.70
AGTR2 P50052 1/20 0.70
PDE3A Q14432 1/20 0.70
LTB4R2 Q9NPC1 1/20 0.70

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
SCHEMBL29257718 1.00 PPARG (0.70) PPARGAGTR1ABCB11EGFRERBB2
SCHEMBL3975959 0.94 AGTR1 (0.75) PPARGAGTR1ABCB11EGFRERBB2
SCHEMBL19380341 0.92 AGTR1 (0.71) PPARGAGTR1ABCB11EGFRERBB2
SCHEMBL15551208 0.91 AGTR1 (0.66) PPARGAGTR1ABCB11EGFRERBB2
SCHEMBL15550328 0.91 AGTR1 (0.66) PPARGAGTR1ABCB11EGFRERBB2
SCHEMBL13974155 0.91 AGTR1 (0.66) PPARGAGTR1ABCB11EGFRERBB2
SCHEMBL7018017 0.90 PPARG (0.59) PPARGAGTR1ABCB11EGFRERBB2
SCHEMBL30206864 0.90 PPARG (0.59) PPARGAGTR1ABCB11EGFRERBB2
SCHEMBL28927794 0.90 AGTR1 (0.70) PPARGAGTR1ABCB11EGFRERBB2
SCHEMBL8563144 0.90 AGTR1 (0.70) PPARGAGTR1ABCB11EGFRERBB2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119470708-A Detection method of azilsartan levamlodipine tablet related substances 江西施美药业股份有限公司 2025-02-18 CN claimed
CN-119470708-A Detection method of azilsartan levamlodipine tablet related substances 江西施美药业股份有限公司 2025-02-18 CN disclosed
CN-119470708-A Detection method of azilsartan levamlodipine tablet related substances 江西施美药业股份有限公司 2025-02-18 CN disclosed