SCHEMBL9875153

SCHEMBL9875153

CCCN(CCC)C(=O)C(C)Nc1c(C(=O)OCC)cnc2cc(C(F)(F)F)ccc12

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 2/20 0.53
PDE6D O43924 1/20 0.53
PDE6A P16499 1/20 0.53
PDE6G P18545 1/20 0.53
PDE6B P35913 1/20 0.53
PDE6C P51160 1/20 0.53
PDE6H Q13956 1/20 0.53
THRB P10828 1/20 0.49
GAA P10253 2/20 0.43
NPSR1 Q6W5P4 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
PKM P14618 1/20 0.41
KDM4E B2RXH2 2/20 0.41
MAPK1 P28482 1/20 0.39
TP53 P04637 2/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
MAPT P10636 1/20 0.39

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
SCHEMBL9874892 0.86 GAA (0.53) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL10670455 0.77 PDE5A (0.60) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL9872808 0.77 KMT2A (0.40) PDE5ATHRBGAANPSR1RXFP1
SCHEMBL7069841 0.77 THRB (0.58) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL14378112 0.76 THRB (0.62) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL9874344 0.76 GAA (0.46) THRBGAANPSR1RXFP1MEN1
SCHEMBL9875116 0.75 GAA (0.44) GAANPSR1RXFP1MEN1KMT2A
SCHEMBL430575 0.75 THRB (0.61) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL429137 0.74 PDE5A (0.60) PDE5APDE6DPDE6APDE6GPDE6B
SCHEMBL437005 0.74 THRB (0.60) PDE5APDE6DPDE6APDE6GPDE6B

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
US-5026711-A Prevention and treatment of cardiovascular disorders and infections states; anxiolytic and anti-allergic agents SANOFI (FR) 1991-06-25 US disclosed