SCHEMBL29831861

SCHEMBL29831861

CCOC(=O)c1sc(Nc2nc(-c3ccc(C(=O)Nc4ccc(Cl)cc4)cc3)cc(N3CCC(O)CC3)n2)nc1C

nearest known ligand 0.67

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ PDE5A O76074 6/20 0.67
▸ ALDH1A1 P00352 5/20 0.49
▸ MAPT P10636 3/20 0.49
▸ NPC1 O15118 3/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ HTT P42858 2/20 0.49
▸ MEN1 O00255 1/20 0.49
▸ GAA P10253 1/20 0.49
▸ HPGD P15428 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ KMT2A Q03164 1/20 0.49
▸ DHODH Q02127 5/20 0.46
▸ KDM4E B2RXH2 4/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.44
▸ NPSR1 Q6W5P4 1/20 0.44
▸ LMNA P02545 1/20 0.42
▸ CSNK1D P48730 1/20 0.42
▸ XDH P47989 1/20 0.41

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
SCHEMBL290337 1.00 PDE5A (0.67) PDE5AALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL26647667 0.91 XDH (0.52) PDE5AALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL290089 0.87 PDE5A (0.76) PDE5AALDH1A1MAPTNPC1HPGD
SCHEMBL2680309 0.87 PDE5A (0.76) PDE5AALDH1A1MAPTNPC1HPGD
SCHEMBL291321 0.87 PDE5A (0.76) PDE5AALDH1A1MAPTNPC1HPGD
SCHEMBL29831949 0.87 PDE5A (0.76) PDE5AALDH1A1MAPTNPC1HPGD
SCHEMBL291287 0.86 PDE5A (0.70) PDE5AALDH1A1MAPTNPC1SMN1; SMN2
SCHEMBL291110 0.86 PDE5A (0.79) PDE5AALDH1A1MAPTNPC1HPGD
SCHEMBL29831789 0.86 PDE5A (0.79) PDE5AALDH1A1MAPTNPC1HPGD
SCHEMBL29832279 0.86 PDE5A (0.69) PDE5AALDH1A1MAPTNPC1SMN1; SMN2

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-4572765-A1 USE OF A THERAPEUTIC AGENT WITH PHOSPHODIESTERASE-7 INHIBITORY ACTIVITY FOR THE TREATMENT AND PREVENTION OF DISEASES ASSOCIATED WITH CHRONIC FATIGUE, EXHAUSTION AND/OR EXERTIONAL INTOLERANCE Mitodicure GmbH (DE) 2025-06-25 — — EP disclosed
WO-2024038089-A1 USE OF A THERAPEUTIC AGENT WITH PHOSPHODIESTERASE-7 INHIBITORY ACTIVITY FOR THE TREATMENT AND PREVENTION OF DISEASES ASSOCIATED WITH CHRONIC FATIGUE, EXHAUSTION AND/OR EXERTIONAL INTOLERANCE MITODICURE GMBH (DE) 2024-02-22 — — WO disclosed
CN-115192711-A Use of PDE7 inhibitors for the treatment of movement disorders 奥默罗斯公司 2022-10-18 — — CN disclosed
CN-114984229-A Treatment of addiction and impulse control disorders using PDE7 inhibitors 奥默罗斯公司 2022-09-02 — — CN disclosed
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