SCHEMBL9853635

SCHEMBL9853635

CCCCc1nc2cncnc2n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.61

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PPARG P37231 3/20 0.61
AGTR1 P30556 5/20 0.50
AGTR2 P50052 5/20 0.50
ACHE P22303 1/20 0.45

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
SCHEMBL9854367 0.87 PPARG (0.61) PPARGAGTR1AGTR2ACHE
SCHEMBL9851543 0.87 AGTR1 (0.66) PPARGAGTR1AGTR2ACHE
SCHEMBL9854256 0.85 PPARG (0.59) PPARGAGTR1AGTR2ACHE
SCHEMBL9124957 0.84 CYP1A2 (0.44) AGTR1AGTR2
SCHEMBL8560864 0.84 PPARG (0.70) PPARGAGTR1AGTR2
SCHEMBL9854260 0.83 PPARG (0.63) PPARGAGTR1AGTR2ACHE
SCHEMBL7852666 0.82 AGTR1 (0.70) PPARGAGTR1AGTR2
SCHEMBL9197325 0.82 PPARG (0.88) PPARGAGTR1AGTR2
SCHEMBL9854354 0.82 PPARG (0.62) PPARGAGTR1AGTR2
SCHEMBL8972401 0.82 PPARG (0.70) PPARGAGTR1AGTR2

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-0426021-A1 Condensed imidazole derivatives and processes for preparation thereof FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1991-05-08 EP disclosed
EP-0415886-A2 Aza compounds CIBA-GEIGY AG (CH) 1991-03-06 EP disclosed