SCHEMBL9023259

SCHEMBL9023259

CCCCc1nc(CCc2ccccc2)nn1Cc1ccc(-c2ncccc2OC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.45
AGTR2 P50052 11/20 0.45
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL9022794 0.95 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9023317 0.94 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9022609 0.93 AGTR1 (0.43) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL9023136 0.93 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9023746 0.92 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9023403 0.90 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9022949 0.89 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9023521 0.88 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9023338 0.87 AGTR1 (0.44) AGTR1AGTR2PDE4APDE4BPDE4C
SCHEMBL8841426 0.86 AGTR1 (0.54) 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-0619819-B1 1-ARYLHETEROARYLALKYL SUBSTITUTED-1H-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS SEARLE & CO (US) 1996-06-12 EP claimed
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