SCHEMBL23315299

SCHEMBL23315299

COc1ccc2c(c1OCc1ccccc1)CCN(C(=O)C(OC1CCCC1)c1ccc(F)cc1)C2

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 16/20 0.52
AGTR1 P30556 2/20 0.48
ACACB O00763 1/20 0.43
HCRTR2 O43614 1/20 0.40
CPT2 P23786 1/20 0.40
CPT1A P50416 1/20 0.40

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
SCHEMBL23315639 0.97 AGTR2 (0.52) AGTR2AGTR1ACACBHCRTR2
SCHEMBL23315338 0.94 AGTR2 (0.57) AGTR2AGTR1ACACBHCRTR2CPT2
SCHEMBL23315290 0.94 AGTR2 (0.57) AGTR2AGTR1ACACBHCRTR2CPT2
SCHEMBL23315354 0.88 AGTR2 (0.55) AGTR2AGTR1HCRTR2CPT2CPT1A
SCHEMBL23315229 0.86 AGTR2 (0.43) AGTR2AGTR1ACACBHCRTR2
SCHEMBL23315554 0.85 AGTR2 (0.53) AGTR2AGTR1ACACBHCRTR2
SCHEMBL21881439 0.85 AGTR2 (0.69) AGTR2AGTR1
SCHEMBL21881438 0.85 AGTR2 (0.69) AGTR2AGTR1
SCHEMBL23315301 0.85 AGTR2 (0.69) AGTR2AGTR1
SCHEMBL21881314 0.85 AGTR2 (0.69) 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