SCHEMBL9532160

SCHEMBL9532160

CC(C)Cc1nc(Cc2ccccc2)nn1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.44
AGTR2 P50052 5/20 0.44
PPARG P37231 1/20 0.36
CNR2 P34972 2/20 0.36
CNR1 P21554 1/20 0.36
TRPV1 Q8NER1 1/20 0.36

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
SCHEMBL8105778 0.92 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9529397 0.92 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9527452 0.91 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL6006233 0.90 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9529333 0.90 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9529805 0.90 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9529517 0.89 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL8111098 0.89 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL8103673 0.89 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL6007278 0.88 AGTR1 (0.49) AGTR1AGTR2PPARG

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-0527851-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1993-02-24 EP disclosed
US-5098920-A Hypotensive agents and treatment of congestive heart failure G. D. SEARLE & CO. (US) 1992-03-24 US disclosed
WO-1991017148-A1 1H-SUBSTITUTED-1,2,4-TRIAZOLE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-11-14 WO disclosed