SCHEMBL9853665

SCHEMBL9853665

CCCCc1nc2cnccc2n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.57
AGTR2 P50052 5/20 0.57
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
SCHEMBL9853658 0.93 AGTR1 (0.57) AGTR1AGTR2PPARG
Ammonia Solution, Strong SCHEMBL9313883 0.92 AGTR1 (0.56) AGTR1AGTR2PPARG
SCHEMBL8393351 0.90 AGTR1 (0.70) AGTR1AGTR2PPARG
SCHEMBL9853647 0.89 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL9194965 0.87 AGTR1 (0.66) AGTR1AGTR2PPARG
SCHEMBL9854234 0.86 AGTR1 (0.58) AGTR1AGTR2PPARG
SCHEMBL9198004 0.86 AGTR1 (0.57) AGTR1AGTR2PPARG
Ammonia Solution, Strong SCHEMBL8972832 0.85 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9853661 0.85 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL8972530 0.85 AGTR1 (0.56) 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
EP-0415886-A2 Aza compounds CIBA-GEIGY AG (CH) 1991-03-06 EP claimed