SCHEMBL9199291

SCHEMBL9199291

CCCCc1nc2cc(F)ccc2n1Cc1ccc(C(=O)OC)cc1

nearest known ligand 0.79

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.79
AGTR2 P50052 7/20 0.79
TBXA2R P21731 5/20 0.56
DRD2 P14416 2/20 0.56
TLR7 Q9NYK1 2/20 0.54
TLR8 Q9NR97 1/20 0.51

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
SCHEMBL9198766 0.92 AGTR1 (0.79) AGTR1AGTR2TBXA2RDRD2TLR7
SCHEMBL9197947 0.89 AGTR1 (1.00) AGTR1AGTR2TBXA2R
SCHEMBL9196115 0.87 AGTR1 (0.61) AGTR1AGTR2TBXA2RDRD2TLR7
SCHEMBL9198925 0.85 AGTR1 (0.78) AGTR1AGTR2TBXA2RDRD2TLR7
SCHEMBL9275378 0.85 AGTR1 (0.78) AGTR1AGTR2TBXA2RDRD2TLR7
SCHEMBL9198105 0.81 AGTR1 (0.78) AGTR1AGTR2TBXA2RDRD2TLR7
SCHEMBL7673045 0.81 AGTR1 (0.60) AGTR1AGTR2TBXA2RDRD2TLR7
SCHEMBL9200654 0.80 AGTR1 (1.00) AGTR1AGTR2
SCHEMBL7987035 0.79 PPARG (0.70) AGTR1AGTR2TBXA2RDRD2TLR7
SCHEMBL9201172 0.78 DRD2 (0.78) AGTR1AGTR2TBXA2RDRD2

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