SCHEMBL28562451

SCHEMBL28562451

CCOC(=O)c1sc(Nc2nc(NCc3ccc(OC)c(OC)c3)cc(N3CCCC(C(N)=O)C3)n2)nc1C

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 8/20 0.74
▸ PDE3B Q13370 3/20 0.54
▸ PDE3A Q14432 3/20 0.54
▸ PDE2A O00408 2/20 0.54
▸ ALDH1A1 P00352 3/20 0.44
▸ MAPT P10636 3/20 0.44
▸ KDM4E B2RXH2 2/20 0.44
▸ ALK Q9UM73 3/20 0.44
▸ LMNA P02545 2/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.40
▸ NPC1 O15118 2/20 0.40
▸ RAB9A P51151 2/20 0.40
▸ MEN1 O00255 1/20 0.40
▸ USP2 O75604 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NPSR1 Q6W5P4 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40

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
SCHEMBL29408508 1.00 PDE5A (0.74) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL29408491 0.93 PDE5A (0.64) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL28569844 0.93 PDE5A (0.64) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL290397 0.93 PDE5A (0.63) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL291561 0.89 PDE5A (0.66) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL28572041 0.87 PDE5A (0.80) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL29408498 0.87 PDE5A (0.80) PDE5APDE3BPDE3APDE2AALDH1A1
SCHEMBL28565209 0.87 PDE5A (0.55) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL29408484 0.87 PDE5A (0.55) PDE5AALDH1A1MAPTKDM4ELMNA
SCHEMBL291180 0.86 PDE5A (0.54) PDE5AALKIGF1R

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
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