SCHEMBL8092904

SCHEMBL8092904

CCCCc1nc2cc[nH]c(=O)c2n1Cc1ccc(C#N)cc1

nearest known ligand 0.62

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 10/20 0.62
AGTR1 P30556 9/20 0.59
PDE4A P27815 2/20 0.45
PDE4B Q07343 2/20 0.45
PDE4C Q08493 2/20 0.45
PDE4D Q08499 2/20 0.45
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL8094791 0.86 AGTR2 (0.65) AGTR2AGTR1PDE4APDE4BPDE4C
SCHEMBL8094963 0.86 AGTR2 (0.68) AGTR2AGTR1PDE4APDE4BPDE4C
SCHEMBL8092760 0.86 AGTR2 (0.65) AGTR2AGTR1PDE4APDE4BPDE4C
SCHEMBL8080820 0.85 AGTR2 (0.72) AGTR2AGTR1
SCHEMBL9186477 0.83 AGTR2 (0.62) AGTR2AGTR1PDE4APDE4BPDE4C
SCHEMBL8081240 0.83 AGTR2 (0.73) AGTR2AGTR1
SCHEMBL8092210 0.83 AGTR2 (0.55) AGTR2AGTR1PDE4APDE4BPDE4C
SCHEMBL8089294 0.82 AGTR2 (0.57) AGTR2AGTR1PDE4APDE4BPDE4C
SCHEMBL8092794 0.82 AGTR2 (0.61) AGTR2AGTR1PDE4APDE4BPDE4C
SCHEMBL8089261 0.81 AGTR2 (0.68) AGTR2AGTR1PDE4APDE4BPDE4C

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