SCHEMBL9844019

SCHEMBL9844019

CCCCc1nc(N(C)C)cc(=O)n1Cc1ccc(-c2ccccc2)c(C#N)c1

nearest known ligand 0.49

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PPARG P37231 2/20 0.43
CYP19A1 P11511 1/20 0.43
AGTR1 P30556 2/20 0.42
AGTR2 P50052 2/20 0.42
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40

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
SCHEMBL9844285 0.88 AGTR1 (0.46) PPARGCYP19A1AGTR1AGTR2
SCHEMBL9843965 0.83 CYP19A1 (0.46) PPARGCYP19A1AGTR1AGTR2PDE4A
SCHEMBL9844094 0.82 PPARG (0.41) PPARGCYP19A1AGTR1AGTR2
SCHEMBL9443092 0.80 PPARG (0.68) PPARGAGTR1AGTR2
SCHEMBL9843787 0.80 PDE4A (0.44) PPARGCYP19A1AGTR1AGTR2PDE4A
SCHEMBL27771395 0.79 AGTR1 (0.61) PPARGCYP19A1AGTR1AGTR2
SCHEMBL27528971 0.78 PPARG (0.55) PPARGAGTR1AGTR2
SCHEMBL8070879 0.78 AGTR1 (0.59) PPARGAGTR1AGTR2
SCHEMBL8088552 0.78 PPARG (0.46) PPARGCYP19A1AGTR1AGTR2
SCHEMBL27771393 0.77 AGTR1 (0.57) 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-0407342-A2 Pyrimidine derivatives CIBA-GEIGY AG (CH) 1991-01-09 EP disclosed