SCHEMBL7995129

SCHEMBL7995129

CCCCc1nc(C)c(CC(=S)N2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2)c(-c2nnn[nH]2)c1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.65
PPARG P37231 1/20 0.53
KCNH2 Q12809 1/20 0.53

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
SCHEMBL8124840 1.00 AGTR1 (0.65) AGTR1PPARGKCNH2
SCHEMBL6964233 0.92 AGTR1 (0.76) AGTR1PPARGKCNH2
SCHEMBL6970376 0.92 AGTR1 (0.76) AGTR1PPARGKCNH2
SCHEMBL6968791 0.92 AGTR1 (0.76) AGTR1PPARGKCNH2
SCHEMBL6963599 0.90 AGTR1 (0.73) AGTR1PPARGKCNH2
SCHEMBL17434766 0.88 AGTR1 (0.66) AGTR1PPARG
SCHEMBL8118527 0.86 AGTR1 (0.64) AGTR1
SCHEMBL6971956 0.86 AGTR1 (0.52) AGTR1PPARG
SCHEMBL9844109 0.86 AGTR1 (0.51) AGTR1PPARG
SCHEMBL6977412 0.85 AGTR1 (0.78) AGTR1PPARGKCNH2

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
US-6294542-B1 Pyrimidinone compounds, pharmaceutical compositions containing the compounds and the process for preparing the same BORYUNG PHARMACEUTICAL CO. LTD. (KR) 2001-09-25 US disclosed