SCHEMBL9843867

SCHEMBL9843867

CCCCc1nc2c(c(=O)n1Cc1ccc(-c3ccccc3)c(-c3nnn[nH]3)c1)CCC2

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.49
AGTR2 P50052 7/20 0.49

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
SCHEMBL9844103 0.91 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9844152 0.90 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL7416052 0.83 AGTR1 (0.63) AGTR1AGTR2
SCHEMBL9844109 0.81 AGTR1 (0.51) AGTR1
SCHEMBL9843850 0.81 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9843811 0.79 AGTR1 (0.51) AGTR1
SCHEMBL9843829 0.79 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9844277 0.79 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL683452 0.79 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL9843889 0.79 AGTR1 (0.42) 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-0407342-A2 Pyrimidine derivatives CIBA-GEIGY AG (CH) 1991-01-09 EP disclosed