SCHEMBL9196687

SCHEMBL9196687

CCCCc1nc2ccccc2n1Cc1ccc(C(=O)O)c(Br)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 1.00
AGTR2 P50052 8/20 1.00
PPARG P37231 4/20 0.64

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
SCHEMBL9196982 0.89 AGTR1 (0.80) AGTR1AGTR2PPARG
SCHEMBL9198204 0.88 AGTR1 (1.00) AGTR1AGTR2PPARG
SCHEMBL7850236 0.85 AGTR1 (0.74) AGTR1AGTR2
SCHEMBL8396970 0.82 AGTR1 (0.79) AGTR1AGTR2PPARG
SCHEMBL9123025 0.82 AGTR1 (1.00) AGTR1AGTR2PPARG
SCHEMBL8393642 0.81 AGTR1 (0.80) AGTR1AGTR2PPARG
SCHEMBL7021447 0.81 AGTR1 (1.00) AGTR1AGTR2PPARG
SCHEMBL8396480 0.81 AGTR1 (0.80) AGTR1AGTR2PPARG
SCHEMBL9089068 0.80 AGTR1 (0.73) AGTR1AGTR2PPARG
SCHEMBL9200766 0.80 AGTR1 (0.80) AGTR1AGTR2PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0399732-B1 Benzimidazole derivatives ZENECA LTD (GB) 1995-07-26 EP claimed
EP-0399732-A1 Benzimidazole derivatives ZENECA LIMITED (GB) 1990-11-28 EP claimed
EP-0399732-B1 Benzimidazole derivatives ZENECA LTD (GB) 1995-07-26 EP disclosed
US-5171748-A For hypertension, cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1992-12-15 US disclosed
EP-0399732-A1 Benzimidazole derivatives ZENECA LIMITED (GB) 1990-11-28 EP disclosed