SCHEMBL8841554

SCHEMBL8841554

CCCCc1nc(CC2CCCCC2)nn1Cc1ccc(-c2ccccc2C(=O)O)cn1

nearest known ligand 0.63

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 11/20 0.50
AGTR2 P50052 9/20 0.50
MME P08473 2/20 0.47
BRS3 P32247 2/20 0.46

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
SCHEMBL8841415 0.97 AGTR1 (0.51) AGTR1AGTR2MMEBRS3
SCHEMBL8841881 0.95 BRS3 (0.47) AGTR1AGTR2BRS3
SCHEMBL8841813 0.93 AGTR1 (0.49) AGTR1AGTR2MMEBRS3
SCHEMBL8842079 0.91 AGTR1 (0.49) AGTR1AGTR2BRS3
SCHEMBL8841359 0.90 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL6007698 0.89 AGTR1 (0.64) AGTR1AGTR2MME
SCHEMBL8842422 0.89 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL8841394 0.89 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL8842189 0.88 BRS3 (0.47) AGTR1AGTR2BRS3
SCHEMBL8841435 0.88 AGTR1 (0.48) AGTR1AGTR2MME

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 13 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
EP-0619819-A1 1-ARYLHETEROARYLALKYL SUBSTITUTED-1H-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. SEARLE & CO (US) 1994-10-19 EP claimed
WO-1992018092-A2 1-ARYLHETEROARYLALKYL SUBSTITUTED-1H-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-10-29 WO claimed
EP-0508445-A1 1-Arylheteroarylalkyl substituted-1H-1,2,4-triazole compounds for treatment of circulatory disorders G.D. Searle & Co. (US) 1992-10-14 EP claimed
US-5602153-A Method of using 1-arylheteroarylalkyl substituted-1H-1,2,4-triazole compounds for treatment of a giaucoma disorder G.D. SEARLE & CO. (US) 1997-02-11 US disclosed
US-5563139-A Method of using 1-arylheteroarylalkyl substituted-1H-1,2,4-triazole compounds for treatment of a glaucoma disorder G. D. SEARLE & CO. (US) 1996-10-08 US disclosed
EP-0508445-B1 1-Arylheteroarylalkyl substituted-1H-1,2,4-triazole compounds for treatment of circulatory disorders SEARLE & CO (US) 1996-06-12 EP disclosed
EP-0619819-B1 1-ARYLHETEROARYLALKYL SUBSTITUTED-1H-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS SEARLE & CO (US) 1996-06-12 EP disclosed
EP-0619819-A1 1-ARYLHETEROARYLALKYL SUBSTITUTED-1H-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. SEARLE & CO (US) 1994-10-19 EP disclosed
WO-1992018092-A2 1-ARYLHETEROARYLALKYL SUBSTITUTED-1H-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-10-29 WO disclosed
EP-0508445-A1 1-Arylheteroarylalkyl substituted-1H-1,2,4-triazole compounds for treatment of circulatory disorders G.D. Searle & Co. (US) 1992-10-14 EP disclosed
US-5155117-A Hypotensive agents G. D. SEARLE & CO. (US) 1992-10-13 US disclosed