SCHEMBL9741307

SCHEMBL9741307

CCCCc1nc(CC2CCCCC2)nn1Cc1ccc(-c2ccccc2)c(C(=O)O)c1

nearest known ligand 0.65

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 12/20 0.51
AGTR2 P50052 11/20 0.51
MME P08473 1/20 0.47

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
SCHEMBL6007698 0.90 AGTR1 (0.64) AGTR1AGTR2MME
SCHEMBL6005823 0.88 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL6006007 0.85 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL8842083 0.84 AGTR1 (0.50) AGTR1AGTR2MME
SCHEMBL8842007 0.84 AGTR1 (0.54) AGTR1AGTR2MME
SCHEMBL9737737 0.84 BRS3 (0.42) AGTR1AGTR2MME
SCHEMBL9739525 0.83 AGTR1 (0.54) AGTR1AGTR2MME
SCHEMBL9528906 0.83 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL8842055 0.83 AGTR1 (0.50) AGTR1AGTR2MME
SCHEMBL9532242 0.82 BRS3 (0.41) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992004335-A2 RENAL-SELECTIVE BIPHENYLALKYL 1H-SUBSTITUTED-1,2,4-TRIAZOLE ANGIOTENSIN II ANTAGONISTS FOR TREATMENT OF HYPERTENSION G.D. SEARLE & CO. (US) 1992-03-19 WO claimed