SCHEMBL28569851

SCHEMBL28569851

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

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE5A O76074 8/20 0.65
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 2/20 0.45
MAPT P10636 2/20 0.45
PDE3B Q13370 2/20 0.45
PDE3A Q14432 2/20 0.45
PDE2A O00408 1/20 0.45
LMNA P02545 2/20 0.43
ALK Q9UM73 6/20 0.38
IGF1R P08069 4/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
USP2 O75604 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL29408479 1.00 PDE5A (0.65) PDE5AALDH1A1KDM4EMAPTPDE3B
SCHEMBL291049 0.92 PDE5A (0.54) PDE5AALKIGF1R
SCHEMBL28567816 0.92 PDE5A (0.70) PDE5AALDH1A1KDM4EMAPTPDE3B
SCHEMBL29408488 0.92 PDE5A (0.70) PDE5AALDH1A1KDM4EMAPTPDE3B
SCHEMBL29408491 0.90 PDE5A (0.64) PDE5AALDH1A1KDM4EMAPTPDE3B
SCHEMBL28569844 0.90 PDE5A (0.64) PDE5AALDH1A1KDM4EMAPTPDE3B
SCHEMBL29408504 0.88 PDE5A (0.64) PDE5AALDH1A1KDM4EMAPTPDE3B
SCHEMBL28913557 0.88 PDE5A (0.64) PDE5AALDH1A1KDM4EMAPTPDE3B
SCHEMBL28562458 0.87 PDE5A (0.71) PDE5AALDH1A1KDM4EMAPTPDE3B
SCHEMBL29408500 0.87 PDE5A (0.71) PDE5AALDH1A1KDM4EMAPTPDE3B

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