SCHEMBL28569844

SCHEMBL28569844

CCOC(=O)c1sc(Nc2nc(NCc3cc(OC)c(OC)c(OC)c3)cc(N3CCCC(C(N)=O)C3)n2)nc1C

nearest known ligand 0.64

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 7/20 0.64
PDE2A O00408 1/20 0.46
PDE3B Q13370 1/20 0.46
PDE3A Q14432 1/20 0.46
ALDH1A1 P00352 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MAPT P10636 1/20 0.44
LMNA P02545 1/20 0.43
ALK Q9UM73 9/20 0.42
IGF1R P08069 7/20 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
SCHEMBL29408491 1.00 PDE5A (0.64) PDE5APDE2APDE3BPDE3AALDH1A1
SCHEMBL28562451 0.93 PDE5A (0.74) PDE5APDE2APDE3BPDE3AALDH1A1
SCHEMBL29408508 0.93 PDE5A (0.74) PDE5APDE2APDE3BPDE3AALDH1A1
SCHEMBL291180 0.93 PDE5A (0.54) PDE5AALKIGF1R
SCHEMBL29408479 0.90 PDE5A (0.65) PDE5APDE2APDE3BPDE3AALDH1A1
SCHEMBL28569851 0.90 PDE5A (0.65) PDE5APDE2APDE3BPDE3AALDH1A1
SCHEMBL28567758 0.87 PDE5A (0.69) PDE5APDE2APDE3BPDE3AALDH1A1
SCHEMBL28562470 0.87 PDE5A (0.69) PDE5APDE2APDE3BPDE3AALDH1A1
SCHEMBL29408502 0.87 PDE5A (0.69) PDE5APDE2APDE3BPDE3AALDH1A1
SCHEMBL28562458 0.87 PDE5A (0.71) PDE5APDE2APDE3BPDE3AALDH1A1

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