SCHEMBL17044161

SCHEMBL17044161

CCCCc1nc2ccn(Cc3ccccc3C(=O)O)c(=O)c2n1Cc1ccc(-c2ccccc2-n2cnnn2)cc1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 11/20 0.72
AGTR1 P30556 10/20 0.72

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
SCHEMBL8094974 0.84 AGTR2 (0.73) AGTR2AGTR1
SCHEMBL614372 0.83 AGTR1 (0.77) AGTR2AGTR1
SCHEMBL6555241 0.78 AGTR1 (0.69) AGTR2AGTR1
SCHEMBL8081205 0.78 AGTR2 (0.64) AGTR2AGTR1
SCHEMBL8089291 0.76 AGTR1 (0.73) AGTR2AGTR1
SCHEMBL9265644 0.76 AGTR1 (0.69) AGTR2AGTR1
SCHEMBL9571451 0.76 AGTR1 (0.65) AGTR2AGTR1
SCHEMBL8089288 0.76 AGTR1 (0.60) AGTR2AGTR1
SCHEMBL8091186 0.76 AGTR1 (0.70) AGTR2AGTR1
SCHEMBL7942058 0.76 AGTR1 (0.78) AGTR2AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2296685-B1 AGONISTS OF GUANYLATE CYCLASE USEFUL FOR THE TREATMENT OF GASTROINTESTINAL DISORDERS, INFLAMMATION, CANCER AND OTHER DISORDERS SYNERGY PHARMACEUTICALS INC (US) 2015-09-02 EP disclosed