SCHEMBL19684540

SCHEMBL19684540

N#Cc1ccc(-n2ccnc2C(=O)NNC2=CC(C(F)(F)F)=CCC=C2)cc1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
PDE4B Q07343 2/20 0.37
VNN1 O95497 1/20 0.30
AR P10275 1/20 0.30
TRPM8 Q7Z2W7 1/20 0.30

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
SCHEMBL19639784 0.74 RXFP1 (0.48) VNN1
SCHEMBL19651232 0.66 NR4A1 (0.42) PDE4B
Lithium Ion SCHEMBL19639780 0.65 CA1 (0.46) PDE4B
SCHEMBL19639805 0.65 HTT (0.43) PDE4B
SCHEMBL27303560 0.62 CYP19A1 (0.43)
SCHEMBL19639815 0.61 RORC (0.41) VNN1
SCHEMBL19639785 0.61 ELANE (0.41) VNN1
SCHEMBL19639795 0.61 ELANE (0.39) VNN1
SCHEMBL19639813 0.61 AURKA (0.42) VNN1
SCHEMBL19639775 0.58 RXFP1 (0.47) VNN1

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
WO-2017207432-A1 NOVEL COMPOUNDS CHIESI FARMACEUTICI S.P.A. (IT) 2017-12-07 WO disclosed