SCHEMBL9429620

SCHEMBL9429620

CCOC(=O)c1c(C2CC2)nc(CC)n1Cc1c2ccocc-2c(Br)c1-c1ccccc1C(=O)NS(=O)(=O)c1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 1/20 0.35
CFTR P13569 1/20 0.34
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
P2RY12 Q9H244 4/20 0.33
KMT2A Q03164 1/20 0.32

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
SCHEMBL7310871 0.93 AGTR2 (0.37) AGTR2
SCHEMBL7308926 0.91 AGTR2 (0.36) AGTR2
SCHEMBL7305207 0.91 AGTR2 (0.36) AGTR2
SCHEMBL7306339 0.91 AGTR2 (0.36) AGTR2
SCHEMBL9429570 0.89 ALDH1A1 (0.38) AGTR2TSHRALDH1A1
SCHEMBL7312882 0.88 AGTR2 (0.40) AGTR2
SCHEMBL7302787 0.87 AGTR2 (0.39) AGTR2
SCHEMBL7309469 0.87 AGTR2 (0.39) AGTR2
SCHEMBL7308626 0.87 AGTR2 (0.39) AGTR2
SCHEMBL9429517 0.85 ALDH1A1 (0.36) TSHRALDH1A1KMT2A

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
US-5310927-A Hypotensive agents; cognition activators; imidazolyl-2-aryl derivatives GLAXO GROUP LIMITED (GB) 1994-05-10 US disclosed