SCHEMBL9846027

SCHEMBL9846027

CCCCc1nc(O)c(Cc2cccc(-c3ccccc3-c3nnn[nH]3)c2)c(CCCC)n1

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.36
AGTR2 P50052 1/20 0.36
CCR2 P41597 1/20 0.35
CCR5 P51681 1/20 0.35

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
SCHEMBL9539561 0.90 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9543200 0.89 PDE4A (0.39) AGTR1AGTR2
SCHEMBL9846055 0.85 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9846125 0.84 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9846061 0.83 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9846041 0.82 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9846014 0.80
SCHEMBL9845994 0.79 CYP19A1 (0.42) AGTR1AGTR2
SCHEMBL9233107 0.78 PDE4A (0.47) AGTR1AGTR2
SCHEMBL9846079 0.76

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-0424317-A2 Pyrimidines CIBA-GEIGY AG (CH) 1991-04-24 EP claimed