SCHEMBL13036727

SCHEMBL13036727

CCCCc1nc(C)c(C)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.51
AGTR2 P50052 6/20 0.51

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
SCHEMBL3347428 0.91 GP6 (0.54) AGTR1AGTR2
SCHEMBL9843837 0.89 AGTR1 (0.59) AGTR1
SCHEMBL9844155 0.89 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9844027 0.87 AGTR1 (0.58) AGTR1
SCHEMBL9448582 0.87 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9843911 0.87 AGTR1 (0.58) AGTR1
SCHEMBL10001517 0.87 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL9874627 0.87 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9843790 0.85 PPARG (0.56) AGTR1
SCHEMBL8393351 0.85 AGTR1 (0.70) 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-7858651-B2 Imidazole-5-carboxylic acid derivatives, the preparation method therefor and the uses thereof SHANGHAI ALLIST PHARMACEUTICAL, INC. (CN) 2010-12-28 US disclosed