SCHEMBL6969979

SCHEMBL6969979

CCCCc1nc(C)c(CC(=S)N2CCSCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.67

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.67
PPARG P37231 1/20 0.55
KCNH2 Q12809 1/20 0.55

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
SCHEMBL6977036 0.94 AGTR1 (0.58) AGTR1
SCHEMBL6968791 0.94 AGTR1 (0.76) AGTR1PPARGKCNH2
SCHEMBL6963599 0.94 AGTR1 (0.73) AGTR1PPARGKCNH2
SCHEMBL6970376 0.93 AGTR1 (0.76) AGTR1PPARGKCNH2
SCHEMBL6964233 0.93 AGTR1 (0.76) AGTR1PPARGKCNH2
SCHEMBL7818659 0.92 AGTR1 (0.56) AGTR1PPARG
SCHEMBL6977412 0.92 AGTR1 (0.78) AGTR1PPARGKCNH2
SCHEMBL7811655 0.89 AGTR1 (0.52) AGTR1
SCHEMBL6964925 0.87 AGTR1 (0.63) AGTR1PPARG
Fimasartan SCHEMBL2229436 0.86 AGTR1 (0.75) AGTR1PPARG

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-0991627-B1 PYRIMIDINONE COMPOUNDS, PHARMACEUTICAL COMPOSITIONS CONTAINING THE COMPOUNDS AND THE PROCESS FOR PREPARING THE SAME BORYUNG PHARM (KR) 2003-07-02 EP claimed