SCHEMBL9308817

SCHEMBL9308817

CCCCc1nc(Cl)c(CO)n1Cc1ccc2c(-c3ccccc3-c3nnn[nH]3)oc(Br)c2c1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.49
AGTR2 P50052 2/20 0.49
ABCC4 O15439 1/20 0.49
ABCB11 O95342 1/20 0.49
PDE3B Q13370 1/20 0.49
PDE3A Q14432 1/20 0.49

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
SCHEMBL9308788 0.92 AGTR1 (0.50) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL9308930 0.91 AGTR1 (0.47) AGTR1
SCHEMBL9309951 0.90 AGTR1 (0.49) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL9308803 0.90 AGTR1 (0.61) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL9308773 0.87 AGTR1 (0.51) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL9309934 0.85 AGTR1 (0.49) AGTR1AGTR2ABCC4ABCB11PDE3B
Losartan SCHEMBL29383742 0.84 AGTR1 (0.67) AGTR1AGTR2ABCC4ABCB11PDE3B
Losartan SCHEMBL60 0.84 AGTR1 (0.67) AGTR1AGTR2ABCC4ABCB11PDE3B
Losartan SCHEMBL6092394 0.84 AGTR1 (0.67) AGTR1AGTR2ABCC4ABCB11PDE3B
Losartan SCHEMBL42080 0.83 AGTR1 (0.66) AGTR1AGTR2ABCC4ABCB11PDE3B

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5374646-A Treatment or prophylasix of hypertension and diseases associated with cognitive disorders GLAXO GROUP LIMITED (GB) 1994-12-20 US claimed
EP-0434249-A2 Benzofuran derivatives GLAXO GROUP LIMITED (GB) 1991-06-26 EP claimed
US-5374646-A Treatment or prophylasix of hypertension and diseases associated with cognitive disorders GLAXO GROUP LIMITED (GB) 1994-12-20 US disclosed
EP-0434249-A2 Benzofuran derivatives GLAXO GROUP LIMITED (GB) 1991-06-26 EP disclosed