SCHEMBL23315449

SCHEMBL23315449

COC(=O)C1Cc2c(ccc(Br)c2OCc2ccccc2)CN1C(=O)OC(C)(C)C

nearest known ligand 0.49

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 14/20 0.49
AGTR1 P30556 2/20 0.49
HDAC8 Q9BY41 3/20 0.47
PTPN1 P18031 1/20 0.46

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
SCHEMBL21881527 0.90 AGTR2 (0.58) AGTR2AGTR1HDAC8PTPN1
SCHEMBL21881522 0.90 AGTR2 (0.58) AGTR2AGTR1HDAC8PTPN1
SCHEMBL21881810 0.90 AGTR2 (0.52) AGTR2AGTR1HDAC8PTPN1
SCHEMBL21881523 0.90 AGTR2 (0.52) AGTR2AGTR1HDAC8PTPN1
SCHEMBL21881852 0.89 AGTR2 (0.52) AGTR2AGTR1HDAC8PTPN1
SCHEMBL21881530 0.89 AGTR2 (0.52) AGTR2AGTR1HDAC8PTPN1
SCHEMBL23315479 0.89 AGTR2 (0.51) AGTR2AGTR1HDAC8PTPN1
SCHEMBL21881602 0.89 AGTR2 (0.51) AGTR2AGTR1HDAC8PTPN1
SCHEMBL21881841 0.87 AGTR2 (0.48) AGTR2AGTR1HDAC8PTPN1
SCHEMBL21881596 0.84 PTPN1 (0.46) AGTR2AGTR1HDAC8PTPN1

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