SCHEMBL9844152

SCHEMBL9844152

CCCCc1nc2c(c(=O)n1Cc1ccc(-c3ccccc3-c3nnn[nH]3)cc1)CCCC2

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.57
AGTR2 P50052 9/20 0.57

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 0.99 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9843867 0.90 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL683401 0.88 AGTR1 (0.74) AGTR1AGTR2
SCHEMBL9437299 0.87 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL683452 0.87 AGTR1 (0.73) AGTR1AGTR2
SCHEMBL9844155 0.84 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9843837 0.84 AGTR1 (0.59) AGTR1
SCHEMBL9402071 0.83 PDE4A (0.64)
SCHEMBL9437285 0.83 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9843911 0.82 AGTR1 (0.58) AGTR1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0407342-A2 Pyrimidine derivatives CIBA-GEIGY AG (CH) 1991-01-09 EP claimed
EP-0407342-A2 Pyrimidine derivatives CIBA-GEIGY AG (CH) 1991-01-09 EP disclosed