SCHEMBL9197814

SCHEMBL9197814

CCCCc1nc2ccccc2n1Cc1ccc(C(=O)OC)cc1[N+](=O)[O-]

nearest known ligand 0.81

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.81
AGTR2 P50052 8/20 0.81
CFTR P13569 1/20 0.53
DRD2 P14416 1/20 0.51
TBXA2R P21731 1/20 0.51
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL9194373 0.90 AGTR1 (1.00) AGTR1AGTR2
SCHEMBL9271577 0.85 AGTR1 (0.80) AGTR1AGTR2DRD2TBXA2RKDM4E
SCHEMBL9688902 0.84 AGTR2 (0.75) AGTR1AGTR2KDM4E
SCHEMBL9275378 0.80 AGTR1 (0.78) AGTR1AGTR2DRD2TBXA2R
SCHEMBL23507217 0.79 VCAM1 (0.56) AGTR1AGTR2
SCHEMBL9198105 0.77 AGTR1 (0.78) AGTR1AGTR2DRD2TBXA2R
SCHEMBL7998324 0.75 VCAM1 (0.54)
SCHEMBL11602247 0.74 VCAM1 (0.53)
SCHEMBL9200766 0.74 AGTR1 (0.80) AGTR1AGTR2DRD2TBXA2R
SCHEMBL9201172 0.74 DRD2 (0.78) 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