SCHEMBL9200766

SCHEMBL9200766

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

nearest known ligand 0.80

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.80
AGTR2 P50052 8/20 0.80
DRD2 P14416 1/20 0.57
TBXA2R P21731 1/20 0.57
PPARG P37231 1/20 0.55
ALDH1A1 P00352 1/20 0.54
TDP1 Q9NUW8 1/20 0.54

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) AGTR1AGTR2DRD2TBXA2RPPARG
SCHEMBL9198204 0.89 AGTR1 (1.00) AGTR1AGTR2PPARG
SCHEMBL9275378 0.86 AGTR1 (0.78) AGTR1AGTR2DRD2TBXA2RPPARG
SCHEMBL9195616 0.83 AGTR1 (0.80) AGTR1AGTR2PPARG
SCHEMBL9198105 0.82 AGTR1 (0.78) AGTR1AGTR2DRD2TBXA2RPPARG
SCHEMBL9087920 0.81 AGTR1 (0.76) AGTR1AGTR2DRD2TBXA2RPPARG
SCHEMBL9201172 0.80 DRD2 (0.78) AGTR1AGTR2DRD2TBXA2RPPARG
SCHEMBL9196687 0.80 AGTR1 (1.00) AGTR1AGTR2PPARG
SCHEMBL9123025 0.79 AGTR1 (1.00) AGTR1AGTR2PPARG
SCHEMBL9271577 0.77 AGTR1 (0.80) AGTR1AGTR2DRD2TBXA2R

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
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