SCHEMBL9494161

SCHEMBL9494161

CCc1nc(CC)c(Cl)c(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)c1Cl

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 13/20 0.52
AGTR2 P50052 13/20 0.52
PDE4A P27815 2/20 0.41
PDE4B Q07343 2/20 0.41
PDE4C Q08493 2/20 0.41
PDE4D Q08499 2/20 0.41
PDE3B Q13370 2/20 0.41
PDE3A Q14432 2/20 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
Hydrochloric Acid SCHEMBL9495778 0.86 AGTR1 (0.51) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9703039 0.86 AGTR1 (0.72) AGTR1AGTR2PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL9499265 0.85 AGTR1 (0.71) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9709788 0.78 AGTR1 (0.48) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9704665 0.78 AGTR1 (0.70) AGTR1AGTR2
SCHEMBL9494154 0.77 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL6955822 0.77 TP53 (0.41) AGTR1AGTR2PDE4APDE4BPDE4C
Hydrochloric Acid SCHEMBL9495708 0.77 AGTR1 (0.68) AGTR1AGTR2
SCHEMBL9703709 0.77 AGTR1 (0.73) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9702445 0.77 AGTR1 (0.73) AGTR1AGTR2PDE4APDE4BPDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5236937-A Treating hypertension, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed
EP-0499415-A1 Pyridine and quinoline derivatives, processes for their manufacture and their use as angiotensin II antagonists ZENECA LIMITED (GB) 1992-08-19 EP disclosed