SCHEMBL9709619

SCHEMBL9709619

CCCC(=O)C(Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1)C(=O)OCC

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.44
TP53 P04637 1/20 0.39
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
MMP8 P22894 1/20 0.37
AGTR2 P50052 2/20 0.36
GPR119 Q8TDV5 2/20 0.35
TSHR P16473 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
SCHEMBL9710053 0.95 AGTR1 (0.46) AGTR1TP53AGTR2
SCHEMBL9709506 0.94 AGTR1 (0.46) AGTR1TP53MEN1KMT2AAGTR2
SCHEMBL9710078 0.93 AGTR1 (0.43) AGTR1TP53MEN1KMT2AMMP8
SCHEMBL9152304 0.86 AGTR1 (0.42) AGTR1TP53MEN1KMT2AAGTR2
SCHEMBL9709708 0.86 AGTR1 (0.41) AGTR1TP53MEN1KMT2AMMP8
SCHEMBL9538443 0.84 AGTR1 (0.46) AGTR1TSHR
SCHEMBL9154007 0.82 AGTR1 (0.44) AGTR1AGTR2TSHR
SCHEMBL9289618 0.79 AGTR1 (0.46) AGTR1TP53MMP8AGTR2GPR119
SCHEMBL9430243 0.78 TSHR (0.44) AGTR1AGTR2TSHR
SCHEMBL9316411 0.77 AGTR1 (0.46) 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-0507594-A1 Substituted quinolines as angiotensin II antagonists MERCK & CO. INC. (US) 1992-10-07 EP disclosed