SCHEMBL22917280

SCHEMBL22917280

O=C(C(c1ccccc1)c1ccccc1)N1CC2CCC(C1)N2C(=O)NCc1ccccc1

nearest known ligand 0.68

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 10/20 0.68
MEN1 O00255 2/20 0.53
KMT2A Q03164 2/20 0.53
MAPK1 P28482 1/20 0.53
GAA P10253 1/20 0.52
NPSR1 Q6W5P4 1/20 0.50
HRH3 Q9Y5N1 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47
ALDH1A1 P00352 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL23032061 1.00 AGTR2 (0.68) AGTR2MEN1KMT2AMAPK1GAA
SCHEMBL23032483 0.90 AGTR2 (0.65) AGTR2MEN1KMT2AMAPK1GAA
SCHEMBL21399920 0.81 AGTR2 (1.00) AGTR2
SCHEMBL23032066 0.79 AGTR2 (0.67) AGTR2SMN1; SMN2
SCHEMBL21400000 0.79 AGTR2 (0.85) AGTR2
SCHEMBL8685279 0.77 GAA (0.66) AGTR2MEN1KMT2AMAPK1GAA
SCHEMBL23032373 0.76 AGTR2 (0.76) AGTR2
SCHEMBL23032075 0.75 AGTR2 (0.62) AGTR2
SCHEMBL22917084 0.74 AGTR2 (0.64) AGTR2SMN1; SMN2
SCHEMBL22917552 0.72 AGTR2 (0.47) AGTR2ALDH1A1TSHR

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-3770148-A1 RECEPTOR INHIBITOR, PHARMACEUTICAL COMPOSITION COMPRISING SAME, AND USE THEREOF Beijing Tide Pharmaceutical Co., Ltd. (CN) 2021-01-27 EP disclosed