SCHEMBL9449474

SCHEMBL9449474

Cc1cc2c(ccc(=O)n2Cc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c(C)n1

nearest known ligand 0.50

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.41
KDM4E B2RXH2 1/20 0.39
AGTR2 P50052 1/20 0.38

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
Hydrochloric Acid SCHEMBL9346770 0.99 AGTR1 (0.41) AGTR1KDM4EAGTR2
Hydrochloric Acid SCHEMBL9350392 0.88 PPARG (0.39) AGTR1
SCHEMBL684181 0.84 AGTR1 (0.50) AGTR1KDM4EAGTR2
SCHEMBL9427044 0.83 PTGES (0.33) AGTR1KDM4E
SCHEMBL7284844 0.83 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9308629 0.82 HDAC1 (0.47) AGTR1AGTR2
Hydrochloric Acid SCHEMBL9350439 0.82 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9308540 0.81 MEN1 (0.45) AGTR1AGTR2
SCHEMBL9662889 0.81 AGTR1 (0.39) AGTR1AGTR2
Hydrochloric Acid SCHEMBL9664123 0.80 AGTR1 (0.38) AGTR1AGTR2

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-5217976-A Hypotensive agents, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 US claimed