SCHEMBL9384992

SCHEMBL9384992

CCCCc1nc(CCCC)n(CCc2ccc(-c3ncccc3C(=O)O)cc2)n1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.47
AGTR2 P50052 10/20 0.47

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
SCHEMBL8841567 0.91 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL8842161 0.89 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL7337858 0.89 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL7331726 0.89 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL7344965 0.89 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL8842490 0.88 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL8841426 0.88 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL7339362 0.87 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL7346675 0.87 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL7340259 0.87 AGTR1 (0.47) 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
EP-0619819-A1 1-ARYLHETEROARYLALKYL SUBSTITUTED-1H-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. SEARLE & CO (US) 1994-10-19 EP claimed