SCHEMBL8092909

SCHEMBL8092909

CCCCc1nc2ccn(Cc3ccc(N)cc3)c(=O)c2n1Cc1ccc(N)cc1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 18/20 0.59
AGTR2 P50052 18/20 0.59
TLR7 Q9NYK1 1/20 0.53
PDE4A P27815 1/20 0.50
PDE4B Q07343 1/20 0.50
PDE4C Q08493 1/20 0.50
PDE4D Q08499 1/20 0.50

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
SCHEMBL8091186 0.87 AGTR1 (0.70) AGTR1AGTR2
SCHEMBL8081222 0.86 AGTR1 (0.56) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL8092921 0.86 AGTR1 (0.62) AGTR1AGTR2TLR7
SCHEMBL8094903 0.86 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL8081174 0.85 AGTR1 (0.57) AGTR1AGTR2TLR7
SCHEMBL8095012 0.83 AGTR1 (0.67) AGTR1AGTR2
SCHEMBL8094791 0.80 AGTR2 (0.65) AGTR1AGTR2TLR7PDE4APDE4B
SCHEMBL8094974 0.79 AGTR2 (0.73) AGTR1AGTR2
SCHEMBL8081242 0.79 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL8088433 0.79 AGTR1 (0.72) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6037349-A HAVING ANTAGONISTIC PROPERTIES TOWARDS ANGIOTENSIN II CAN BE USED FOR THE TREATMENT OF HYPERTENSION, ALDOSTERONISM AND CARDIAC INSUFFICIENCY MERCK PATENT GMBH (DE) 2000-03-14 US disclosed
US-5798364-A ANGIOTENSIN II ANTAGONIST, USEFUL FOR TREATMENT OF HYPERTENSION, ALDOSTERONISM AND CARDIAC INSUFFICIENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-08-25 US disclosed
EP-0505893-A1 Imidazopyridines MERCK PATENT GmbH (DE) 1992-09-30 EP disclosed