SCHEMBL9853622

SCHEMBL9853622

CCCCc1nc2nnccc2n1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.71
AGTR2 P50052 3/20 0.71
PPARG P37231 3/20 0.67

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
SCHEMBL7842666 0.89 AGTR1 (0.77) AGTR1AGTR2PPARG
SCHEMBL9704873 0.87 AGTR1 (0.74) AGTR1AGTR2PPARG
SCHEMBL9853645 0.85 AGTR1 (0.71) AGTR1AGTR2PPARG
SCHEMBL7851753 0.85 AGTR1 (0.68) AGTR1AGTR2PPARG
SCHEMBL7849966 0.84 AGTR1 (0.70) AGTR1AGTR2PPARG
SCHEMBL9704818 0.84 AGTR1 (0.70) AGTR1AGTR2PPARG
SCHEMBL9704754 0.83 AGTR1 (0.69) AGTR1AGTR2PPARG
SCHEMBL7021447 0.83 AGTR1 (1.00) AGTR1AGTR2PPARG
SCHEMBL9705296 0.83 AGTR1 (0.80) AGTR1AGTR2PPARG
SCHEMBL9853641 0.83 AGTR1 (1.00) 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 2 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
EP-0415886-A2 Aza compounds CIBA-GEIGY AG (CH) 1991-03-06 EP disclosed