SCHEMBL8332201

SCHEMBL8332201

CCCc1nc(C(=O)O)c(Cl)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.52
AGTR2 P50052 4/20 0.51
PPARG P37231 2/20 0.49

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
SCHEMBL3118878 0.95 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL8469323 0.92 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL61 0.91 AGTR1 (0.59) AGTR1AGTR2
SCHEMBL7304283 0.90 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL28491030 0.89 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL668602 0.88 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL9558700 0.88 AGTR1 (0.52) AGTR1AGTR2PPARG
SCHEMBL7305879 0.88 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL28498803 0.87 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL855 0.87 AGTR1 (0.64) AGTR1AGTR2

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-5962500-A HYPOSENSITVE AGENT MERCK SHARP & DOHME CORP. 1999-10-05 US disclosed