SCHEMBL4537638

SCHEMBL4537638

CCOC(=O)c1sc(Nc2nc(N3CCC(O)CC3)cc(N3CCC(O)CC3CC)n2)nc1C

nearest known ligand 0.83

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 6/20 0.83
ALDH1A1 P00352 5/20 0.50
MAPT P10636 5/20 0.50
KDM4E B2RXH2 5/20 0.50
LMNA P02545 3/20 0.48
DHODH Q02127 5/20 0.44
NPC1 O15118 1/20 0.43
HPGD P15428 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 2/20 0.43
POLB P06746 1/20 0.42
CASP6 P55212 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL290844 0.91 PDE5A (1.00) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL6068214 0.87 PDE5A (0.88) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL29832145 0.87 PDE5A (0.91) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL290788 0.87 PDE5A (0.91) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL291630 0.86 PDE5A (0.89) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL2681053 0.85 PDE5A (0.88) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL290610 0.84 PDE5A (0.86) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL291314 0.84 PDE5A (0.86) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL2681060 0.84 PDE5A (0.86) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL291112 0.84 PDE5A (0.86) PDE5AALDH1A1MAPTKDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2846805-A2 TREATMENT OF ADDICTION AND IMPULSE-CONTROL DISORDERS USING PDE7 INHIBITORS Omeros Corporation (US) 2015-03-18 EP disclosed
WO-2013176877-A2 TREATMENT OF ADDICTION AND IMPULSE-CONTROL DISORDERS USING PDE7 INHIBITORS OMEROS CORPORATION (US) 2013-11-28 WO disclosed
EP-2640395-A2 TREATMENT OF ADDICTION AND IMPULSE-CONTROL DISORDERS USING PDE7 INHIBITORS Omeros Corporation (US) 2013-09-25 EP disclosed
WO-2012064667-A2 TREATMENT OF ADDICTION AND IMPULSE-CONTROL DISORDERS USING PDE7 INHIBITORS OMEROS CORPORATION (US) 2012-05-18 WO disclosed