SCHEMBL3429149

SCHEMBL3429149

CCOc1nc2cccc(C(=O)O)c2n1Cc1ccc(-c2ccccc2)c(-c2nnnn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.57
AGTR2 P50052 2/20 0.57
ABCB11 O95342 1/20 0.57
EGFR P00533 1/20 0.57
ERBB2 P04626 1/20 0.57
CYP3A4 P08684 1/20 0.57
ADORA3 P0DMS8 1/20 0.57
CYP2C9 P11712 1/20 0.57
ADRB3 P13945 1/20 0.57
ADRA2B P18089 1/20 0.57
SLC6A2 P23975 1/20 0.57
TBXAS1 P24557 1/20 0.57
HTR2C P28335 1/20 0.57
PPARG P37231 1/20 0.57
HTR2B P41595 1/20 0.57
PDE3A Q14432 1/20 0.57
LTB4R2 Q9NPC1 1/20 0.57
AGT P01019 1/20 0.43
NAE1 Q13564 1/20 0.43

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
SCHEMBL498030 0.94 AGTR1 (0.64) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL3873571 0.88 AGTR2 (0.56) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL9594207 0.87 AGTR1 (0.54) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL10108979 0.86 AGTR1 (0.66) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL28915096 0.85 AGTR2 (0.54) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL9007006 0.84 AGTR1 (0.65) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL9595966 0.84 AGTR1 (0.50) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL8112903 0.83 AGTR2 (0.52) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL3428493 0.83 AGTR1 (0.40) AGTR1AGTR2ABCB11EGFRERBB2
SCHEMBL14573953 0.83 AGTR2 (0.49) AGTR1AGTR2ABCB11EGFRERBB2

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-2250158-A2 ANGIOTENSIN II RECEPTOR ANTAGONISTS Nicox S.A. (FR) 2010-11-17 EP disclosed
WO-2009106470-A2 ANGIOTENSIN II RECEPTOR ANTAGONISTS NICOX S.A. (FR) 2009-09-03 WO disclosed