SCHEMBL9853641

SCHEMBL9853641

CCCCc1nc2cnncc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 1.00
AGTR2 P50052 2/20 1.00
PPARG P37231 4/20 0.75

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
SCHEMBL7854881 0.90 AGTR1 (0.81) AGTR1AGTR2PPARG
SCHEMBL7021447 0.89 AGTR1 (1.00) AGTR1AGTR2PPARG
SCHEMBL7851819 0.89 AGTR1 (0.80) AGTR1AGTR2PPARG
SCHEMBL9705296 0.89 AGTR1 (0.80) AGTR1AGTR2PPARG
SCHEMBL8392912 0.86 AGTR1 (0.83) AGTR1AGTR2PPARG
SCHEMBL8391692 0.86 AGTR1 (0.83) AGTR1AGTR2PPARG
SCHEMBL8393637 0.86 PPARG (1.00) AGTR1AGTR2PPARG
SCHEMBL8396598 0.85 AGTR1 (0.79) AGTR1AGTR2PPARG
SCHEMBL9335305 0.85 AGTR1 (0.85) AGTR1AGTR2PPARG
SCHEMBL9123448 0.85 AGTR1 (0.79) 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-0415886-A2 Aza compounds CIBA-GEIGY AG (CH) 1991-03-06 EP claimed
WO-1991019715-A1 1H-SUBSTITUTED-IMIDAZO[4,5-d]PYRIDAZINE COMPOUNDS FOR TREATMENT OF CARDIOVASCULAR DISORDERS G.D. SEARLE & CO. (US) 1991-12-26 WO disclosed
EP-0415886-A2 Aza compounds CIBA-GEIGY AG (CH) 1991-03-06 EP disclosed