SCHEMBL23315326

SCHEMBL23315326

COc1ccc(OC(C(=O)N2CCc3c(ccc(OC)c3OCc3ccccc3)C2)c2ccccc2)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 14/20 0.53
AGTR1 P30556 2/20 0.53
HCRTR2 O43614 1/20 0.46
HPGD P15428 1/20 0.46
ACACB O00763 1/20 0.45
CHRM1 P11229 1/20 0.44
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 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
SCHEMBL23315204 0.92 AGTR2 (0.51) AGTR2AGTR1HCRTR2ACACBKDM4E
SCHEMBL23315280 0.92 AGTR2 (0.49) AGTR2AGTR1HCRTR2ACACBCHRM1
SCHEMBL23315288 0.88 AGTR2 (0.51) AGTR2AGTR1HCRTR2ACACBKDM4E
SCHEMBL23315348 0.88 AGTR2 (0.51) AGTR2AGTR1HCRTR2ACACBKDM4E
SCHEMBL23315289 0.88 AGTR2 (0.51) AGTR2AGTR1HCRTR2ACACBKDM4E
SCHEMBL23315424 0.87 AGTR2 (0.54) AGTR2AGTR1HCRTR2ACACBKDM4E
SCHEMBL21796225 0.86 AGTR2 (0.66) AGTR2AGTR1HCRTR2ACACBKDM4E
SCHEMBL23315460 0.86 AGTR2 (0.49) AGTR2AGTR1HCRTR2ACACBKDM4E
SCHEMBL23315338 0.84 AGTR2 (0.57) AGTR2AGTR1HCRTR2ACACBKDM4E
SCHEMBL23315296 0.84 AGTR2 (0.51) AGTR2AGTR1HCRTR2ACACBKDM4E

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-3620454-B1 CARBOXYLIC ACID DERIVATIVE AS AT2R RECEPTOR ANTAGONIST SHANDONG DANHONG PHARMACEUTICAL CO LTD (CN) 2021-05-05 EP disclosed