SCHEMBL9024846

SCHEMBL9024846

CCc1cc(NCc2ccc(-c3ccccc3-c3nnn[nH]3)cc2)nc(C(F)(F)F)n1.[NaH]

nearest known ligand 0.46

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.46
AGTR2 P50052 7/20 0.46
PDE4A P27815 1/20 0.35
PDE4B Q07343 1/20 0.35
PDE4C Q08493 1/20 0.35
PDE4D Q08499 1/20 0.35
PDE3B Q13370 1/20 0.35
PDE3A Q14432 1/20 0.35
PTGS2 P35354 1/20 0.35

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
SCHEMBL9024606 0.99 AGTR1 (0.47) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9024858 0.98 AGTR1 (0.46) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9023830 0.85 AGTR1 (0.46) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9024201 0.80 PTGS2 (0.45) AGTR1AGTR2PTGS2
Acetic Acid SCHEMBL9024545 0.80 AGTR1 (0.44) AGTR1AGTR2PDE4APDE4BPDE4C
Water SCHEMBL9024199 0.79 PTGS2 (0.44) AGTR1AGTR2PTGS2
SCHEMBL9024560 0.79 AGTR2 (0.40) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9024009 0.79 AGTR2 (0.41) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9496862 0.78 AGTR1 (0.61) AGTR1AGTR2
SCHEMBL9024187 0.78 PTGS2 (0.37) AGTR1AGTR2PTGS2

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
EP-0611368-B1 SUBSTITUTED AMINOPYRIMIDINES AS ANGIOTENSIN II ANTAGONISTS AMERICAN HOME PROD (US) 1996-02-07 EP disclosed
EP-0611368-A1 SUBSTITUTED AMINOPYRIMIDINES AS ANGIOTENSINE II ANTAGONISTS. AMERICAN HOME PROD (US) 1994-08-24 EP disclosed
US-5336677-A ANTAGONIST OF ANGIOTENSIN II AMERICAN HOME PRODUCTS CORPORATION (US) 1994-08-09 US disclosed
WO-1993008169-A1 SUBSTITUTED AMINOPYRIMIDINES AS ANGIOTENSINE II ANTAGONISTS AMERICAN HOME PRODUCTS CORPORATION (US) 1993-04-29 WO disclosed