SCHEMBL28567178

SCHEMBL28567178

CCOC(=O)c1sc(Nc2nc(NCc3ccc(OC)c(OC)c3)cc(N3CCN(C)CC3)n2)nc1C

nearest known ligand 0.85

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.85
PDE3B Q13370 2/20 0.59
PDE3A Q14432 2/20 0.59
PDE2A O00408 1/20 0.59
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
KDM4E B2RXH2 2/20 0.49
LMNA P02545 2/20 0.47
AURKA O14965 3/20 0.47
AURKB Q96GD4 2/20 0.46
HRH4 Q9H3N8 1/20 0.45
NPC1 O15118 2/20 0.44
HPGD P15428 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
USP2 O75604 1/20 0.44
GAA P10253 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44

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
SCHEMBL29408482 1.00 PDE5A (0.85) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL6068495 0.92 PDE5A (0.84) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL28564661 0.92 PDE5A (1.00) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL29408509 0.92 PDE5A (1.00) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL29831637 0.92 PDE5A (0.84) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL290946 0.92 PDE5A (0.75) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL300168 0.92 PDE5A (0.71) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL6068237 0.89 PDE5A (0.77) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL6068414 0.89 PDE5A (0.79) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL28567784 0.88 PDE5A (0.67) PDE5APDE3BPDE3APDE2AALDH1A1

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
CN-114984229-A Treatment of addiction and impulse control disorders using PDE7 inhibitors 奥默罗斯公司 2022-09-02 CN disclosed
CN-112168972-A Treatment of addiction and impulse control disorders using PDE7 inhibitors 奥默罗斯公司 2021-01-05 CN disclosed