SCHEMBL7420737

SCHEMBL7420737

CN(C)c1ccc2nc(Cl)nc(NCc3ccc4c(c3)OCO4)c2c1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 15/20 0.54
MEN1 O00255 2/20 0.54
KMT2A Q03164 2/20 0.54
ALDH1A1 P00352 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
PDE4A P27815 2/20 0.50
PDE4B Q07343 2/20 0.50
PDE4C Q08493 2/20 0.50
PDE4D Q08499 2/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50
CLK4 Q9HAZ1 3/20 0.48
PDE2A O00408 1/20 0.48
PDE1A P54750 1/20 0.48
PDE1B Q01064 1/20 0.48
PDE1C Q14123 1/20 0.48

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
SCHEMBL4924574 0.86 PDE5A (0.72) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7491208 0.83 PDE5A (0.71) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL3114782 0.82 PDE5A (0.67) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7492759 0.81 PDE5A (0.71) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7496355 0.80 PDE5A (0.70) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7420304 0.80 PDE5A (0.68) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7416234 0.79 PDE4A (0.54) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL7471242 0.78 PDE4A (0.77) PDE5AMEN1KMT2AALDH1A1PDE4A
SCHEMBL8539200 0.77 PDE5A (0.49) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2
SCHEMBL8543991 0.77 PDE5A (0.52) PDE5AMEN1KMT2AALDH1A1SMN1; SMN2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5707998-A CYCLIC-GMP PHOSPHODIESTERASE INHIBITORS, TREATING CARDIOVASCULAR DISORDERS AND ASTHMA EISAI CO., LTD. (JP) 1998-01-13 US disclosed
EP-0691967-A1 NITROGEN-CONTAINING FUSED-HETEROCYCLE COMPOUNDS Eisai Co., Ltd. (JP) 1996-01-17 EP disclosed
WO-1994022855-A1 NITROGEN-CONTAINING FUSED-HETEROCYCLE COMPOUNDS EISAI CO., LTD. (JP) 1994-10-13 WO disclosed