SCHEMBL9023586

SCHEMBL9023586

CCCCc1nc(C2CCCCC2)nn1Cc1ccc(-c2cnccc2OC(=O)O)cc1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.43
AGTR2 P50052 9/20 0.43
TBXA2R P21731 2/20 0.41
TBXAS1 P24557 2/20 0.41

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
SCHEMBL9023020 0.94 AGTR1 (0.42) AGTR1AGTR2TBXA2RTBXAS1
SCHEMBL8841671 0.87 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9023206 0.87 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9023426 0.86 AGTR2 (0.41) AGTR1AGTR2
SCHEMBL8842287 0.86 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9023481 0.84 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9023250 0.84 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9023462 0.84 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9023861 0.84 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9022896 0.84 AGTR1 (0.40) AGTR1AGTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0508445-B1 1-Arylheteroarylalkyl substituted-1H-1,2,4-triazole compounds for treatment of circulatory disorders SEARLE & CO (US) 1996-06-12 EP claimed
EP-0619819-B1 1-ARYLHETEROARYLALKYL SUBSTITUTED-1H-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS SEARLE & CO (US) 1996-06-12 EP claimed