SCHEMBL7015889

SCHEMBL7015889

CCc1cc2c(=O)c3cccc(C(=O)OC(C)OC(=O)OC4CCCCC4)c3n(Cc3ccc(-c4ccccc4-c4nnnn4C(c4ccccc4)(c4ccccc4)c4ccccc4)cc3)c2s1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 17/20 0.48
AGTR2 P50052 2/20 0.48
KDM4E B2RXH2 1/20 0.48
MEN1 O00255 1/20 0.48
MLNR O43193 1/20 0.48
NR1I2 O75469 1/20 0.48
USP2 O75604 1/20 0.48
ESR1 P03372 1/20 0.48
NR3C1 P04150 1/20 0.48
TP53 P04637 1/20 0.48
PGR P06401 1/20 0.48
ADRB2 P07550 1/20 0.48
CHRM2 P08172 1/20 0.48
ADRB1 P08588 1/20 0.48
CYP3A4 P08684 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
ADORA3 P0DMS8 1/20 0.48
GABRA1 P14867 1/20 0.48
HPGD P15428 1/20 0.48

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
SCHEMBL7012215 0.86 AGTR1 (0.53) AGTR1AGTR2KDM4EMEN1MLNR
SCHEMBL7015437 0.84 AGTR1 (0.48) AGTR1AGTR2AGT
SCHEMBL7012415 0.82 AGT (0.43) AGTR1AGTR2AGT
SCHEMBL2477228 0.81 AGTR2 (0.71) AGTR1AGTR2KDM4EMEN1MLNR
SCHEMBL9007006 0.78 AGTR1 (0.65) AGTR1AGTR2KDM4EMEN1MLNR
SCHEMBL9596100 0.77 AGTR1 (0.62) AGTR1AGTR2KDM4EMEN1MLNR
SCHEMBL12991725 0.75 AGT (0.51) AGTR1AGTR2KDM4EMEN1MLNR
SCHEMBL8242965 0.74 AGTR1 (0.52) AGTR1AGTR2KDM4EMEN1MLNR
SCHEMBL28402948 0.73 PPARG (0.57) AGTR1AGTR2KDM4EMEN1MLNR
SCHEMBL9596166 0.73 AGTR1 (0.59) AGTR1AGTR2KDM4EMEN1MLNR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1327631-A2 Fused heterocyclic compounds, their production and use as angiotensin II antagonists Takeda Chemical Industries, Ltd. (JP) 2003-07-16 EP disclosed
EP-0518033-B1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2003-07-02 EP disclosed
US-5389641-A Fused heterocyclic compounds, having angiotensin II antagonistic activity TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1995-02-14 US disclosed
EP-0518033-A1 Fused heterocyclic compounds, their production and use TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-12-16 EP disclosed