SCHEMBL13616765

SCHEMBL13616765

CCCCc1nc(C)c(CO)n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.59
AGTR1 P30556 2/20 0.56
AGTR2 P50052 2/20 0.56
ABCC4 O15439 1/20 0.54
ABCB11 O95342 1/20 0.54
PDE3B Q13370 1/20 0.54
PDE3A Q14432 1/20 0.54

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
SCHEMBL541 0.90 AGTR1 (0.69) AGTR1AGTR2ABCC4ABCB11PDE3B
SCHEMBL397 0.89 PPARG (0.58) PPARGAGTR1AGTR2ABCC4ABCB11
SCHEMBL214 0.86 PPARG (0.56) PPARGAGTR1AGTR2ABCC4ABCB11
SCHEMBL13277425 0.85 PPARG (0.55) PPARGAGTR1AGTR2ABCC4ABCB11
SCHEMBL9843803 0.85 PPARG (0.58) PPARGAGTR1
SCHEMBL3460736 0.84 AGTR1 (0.62) PPARGAGTR1AGTR2ABCC4ABCB11
SCHEMBL12716746 0.84 PPARG (0.60) PPARGAGTR1AGTR2ABCC4ABCB11
SCHEMBL17949543 0.84 PPARG (0.57) PPARGAGTR1AGTR2
SCHEMBL10589345 0.84 PPARG (0.59) PPARGAGTR1AGTR2ABCC4ABCB11
SCHEMBL12716740 0.83 PPARG (0.61) PPARGAGTR1AGTR2ABCC4ABCB11

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-2116548-A1 PROCESS FOR THE PREPARATION OF TETRAZOLE DERIVATIVES FROM ORGANO BORON AND ORGANO ALUMINIUM AZIDES Novartis AG (CH) 2009-11-11 EP disclosed