SCHEMBL7416052

SCHEMBL7416052

CCCc1nc2c(n1Cc1ccc(-c3ccccc3)c(-c3nnn[nH]3)c1)C(=O)CCCC2

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 15/20 0.63
AGTR2 P50052 12/20 0.63
EDNRA P25101 8/20 0.47

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
Pratosartan SCHEMBL93595 0.91 AGTR1 (0.73) AGTR1AGTR2EDNRA
SCHEMBL683741 0.90 AGTR1 (0.72) AGTR1AGTR2EDNRA
SCHEMBL683401 0.85 AGTR1 (0.74) AGTR1AGTR2EDNRA
SCHEMBL683452 0.85 AGTR1 (0.73) AGTR1AGTR2EDNRA
SCHEMBL9843867 0.83 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9638103 0.81 PPARG (0.53) AGTR1AGTR2
SCHEMBL9076746 0.79 AGTR1 (0.68) AGTR1AGTR2
SCHEMBL9847832 0.78 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL6536063 0.78 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL8072083 0.78 GP6 (0.56) 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
WO-2000037075-A1 COMBINATION OF AN AT1 ANGIOTENSIN II RECEPTOR ANTAGONIST AND AN IMMUNOSUPPRESSANT SANOFI-SYNTHELABO (FR) 2000-06-29 WO disclosed