SCHEMBL8396089

SCHEMBL8396089

CCCCc1nc2c(OCc3ccccc3)cc(N)cc2n1Cc1ccc(-c2ccccc2C(=O)OC(C)(C)C)cc1

nearest known ligand 0.56

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.51
AGTR2 P50052 2/20 0.51
PPARG P37231 3/20 0.48

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
SCHEMBL8397652 0.89 AGTR1 (0.56) AGTR1AGTR2PPARG
SCHEMBL8394047 0.86 AGTR1 (0.51) AGTR1AGTR2PPARG
SCHEMBL8393616 0.84 AGTR1 (0.59) AGTR1AGTR2PPARG
SCHEMBL8391844 0.84 PPARG (0.49) AGTR1AGTR2PPARG
SCHEMBL8396532 0.84 AGTR2 (0.48) AGTR1AGTR2
SCHEMBL8392105 0.83 AGTR1 (0.61) AGTR1AGTR2PPARG
SCHEMBL4884818 0.83 AGTR1 (0.60) AGTR1AGTR2PPARG
SCHEMBL8394490 0.82 AGTR1 (0.57) AGTR1AGTR2PPARG
SCHEMBL8395706 0.82 AGTR2 (0.56) AGTR1AGTR2PPARG
SCHEMBL8393795 0.81 AGTR1 (0.56) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5864043-A CARDIOVASCULAR DISORDERS AND ANGIOTENSIN ANTAGONIST KARL THOMAE GMBH (DE) 1999-01-26 US disclosed