SCHEMBL22917166

SCHEMBL22917166

O=C(N1CC2CCC(C1)N2c1nccc(-c2ccccc2)n1)N(c1ccccc1)c1ccccc1

nearest known ligand 0.70

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.70
HCRTR1 O43613 16/20 0.46
HCRTR2 O43614 16/20 0.46
HCAR2 Q8TDS4 1/20 0.42
SLC6A7 Q99884 1/20 0.41

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
SCHEMBL23032510 0.96 AGTR2 (0.65) AGTR2HCRTR1HCRTR2HCAR2
SCHEMBL21400059 0.83 AGTR2 (1.00) AGTR2
SCHEMBL23032508 0.81 AGTR2 (0.47) AGTR2SLC6A7
SCHEMBL23032405 0.80 AGTR2 (0.91) AGTR2
SCHEMBL29931593 0.75 AGTR2 (0.47) AGTR2HCRTR1HCRTR2SLC6A7
SCHEMBL23032082 0.73 ALDH1A1 (0.44) AGTR2
SCHEMBL22917328 0.72 AGTR2 (0.60) AGTR2
SCHEMBL21400356 0.71 AGTR2 (0.79) AGTR2
SCHEMBL23032524 0.70 AGTR2 (0.68) AGTR2HCRTR1HCRTR2
SCHEMBL2369924 0.70 AGTR2 (0.48) AGTR2HCRTR1HCRTR2

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