SCHEMBL23315330

SCHEMBL23315330

COc1ccc2c(c1OCc1ccccc1)CC(C)N(C(=O)Cc1ccccc1)C2

nearest known ligand 0.66

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 18/20 0.66
AGTR1 P30556 2/20 0.62
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL23315193 0.89 AGTR2 (0.81) AGTR2AGTR1
SCHEMBL23315246 0.89 AGTR2 (0.81) AGTR2AGTR1
SCHEMBL23315237 0.89 AGTR2 (0.81) AGTR2AGTR1
SCHEMBL10073578 0.85 AGTR2 (0.81) AGTR2AGTR1
SCHEMBL23315568 0.85 AGTR2 (0.77) AGTR2AGTR1
SCHEMBL23315510 0.84 AGTR2 (0.75) AGTR2AGTR1
SCHEMBL23315475 0.84 AGTR2 (0.75) AGTR2AGTR1
SCHEMBL23315487 0.81 AGTR2 (0.63) AGTR2AGTR1
SCHEMBL23315319 0.81 AGTR2 (0.63) AGTR2AGTR1
SCHEMBL8964042 0.80 AGTR2 (1.00) AGTR2AGTR1

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