SCHEMBL4658686

SCHEMBL4658686

CCCc1ccc(-c2ccc3c(c2)CC(=O)N3)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 1/20 0.59
PDE3A Q14432 1/20 0.59
PGR P06401 4/20 0.55
GRIA1 P42261 2/20 0.55
CACNG8 Q8WXS5 2/20 0.55
CYP1A2 P05177 1/20 0.52
CYP11B1 P15538 1/20 0.52
CYP11B2 P19099 1/20 0.52
MAOB P27338 3/20 0.51
ABCB1 P08183 1/20 0.50
AHR P35869 1/20 0.49
PDE4A P27815 1/20 0.48
PDE4B Q07343 1/20 0.48
PDE4C Q08493 1/20 0.48
PDE4D Q08499 1/20 0.48
BMPR1B O00238 1/20 0.46
BMPR1A P36894 1/20 0.46
TGFBR1 P36897 1/20 0.46
ACVRL1 P37023 1/20 0.46
ACVR1 Q04771 1/20 0.46

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
SCHEMBL4481831 0.91 PDE3B (0.56) PDE3BPDE3APGRGRIA1CACNG8
SCHEMBL7349900 0.89 AHR (0.53) PDE3BPDE3APGRGRIA1CACNG8
SCHEMBL16090337 0.83 MAPT (0.51) PDE3BPDE3AGRIA1CACNG8CYP1A2
SCHEMBL4481829 0.81 PGR (0.58) PDE3BPDE3APGRGRIA1CACNG8
SCHEMBL689189 0.80 AHR (0.50) PDE3BPDE3APGRGRIA1CACNG8
SCHEMBL4511892 0.80 AHR (0.53) GRIA1CACNG8MAOBAHRCRBN
SCHEMBL4467816 0.79 CRBN (0.55) PDE3BPDE3AMAOBAHRCRBN
SCHEMBL7121335 0.79 AHR (0.56) PDE3BPDE3APGRGRIA1CACNG8
SCHEMBL578518 0.79 AHR (0.56) PDE3BPDE3APGRGRIA1CACNG8
SCHEMBL1460158 0.79 AHR (0.49) PDE3BPDE3AGRIA1CACNG8MAOB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2001845-A2 SYNTHESIS OF THROMBOPOIETIN ACTIVITY MODULATING COMPOUNDS LIGAND PHARMACEUTICALS, INC. (US) 2008-12-17 EP disclosed
WO-2007106564-A2 SYNTHESIS OF THROMBOPOIETIN ACTIVITY MODULATING COMPOUNDS LIGAND PHARMACEUTICALS INC. (US) 2007-09-20 WO disclosed