SCHEMBL30837833

SCHEMBL30837833

CCCOc1cc(Cn2c(=O)c3cc(OC(CF)CF)ccc3n(C3CCN(C=O)CC3)c2=O)ccc1OC1CCCC1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.73
PDE7B Q9NP56 5/20 0.73
PDE8A O60658 3/20 0.73
NPSR1 Q6W5P4 2/20 0.33
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
TSHR P16473 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
PDE4B Q07343 2/20 0.32
PRKDC P78527 2/20 0.32
PIK3CA P42336 1/20 0.31
S1PR3 Q99500 1/20 0.30
EDNRB P24530 1/20 0.30
EDNRA P25101 1/20 0.30
MEN1 O00255 1/20 0.30
GAA P10253 1/20 0.30
MAPT P10636 1/20 0.30
MAPK1 P28482 1/20 0.30

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
SCHEMBL100854 1.00 PDE7A (0.73) PDE7APDE7BPDE8ANPSR1ALDH1A1
SCHEMBL30837934 0.94 PDE7A (0.75) PDE7APDE7BPDE8ANPSR1ALDH1A1
SCHEMBL101004 0.94 PDE7A (0.75) PDE7APDE7BPDE8ANPSR1ALDH1A1
SCHEMBL100140 0.93 PDE7A (0.79) PDE7APDE7BPDE8ANPSR1ALDH1A1
SCHEMBL100998 0.92 PDE7A (0.78) PDE7APDE7BPDE8ANPSR1ALDH1A1
SCHEMBL101010 0.92 PDE7A (0.73) PDE7APDE7BPDE8ANPSR1ALDH1A1
SCHEMBL99927 0.92 PDE7A (0.77) PDE7APDE7BPDE8ANPSR1ALDH1A1
SCHEMBL30837931 0.92 PDE7A (0.87) PDE7APDE7BPDE8ANPSR1ALDH1A1
SCHEMBL100095 0.92 PDE7A (0.87) PDE7APDE7BPDE8ANPSR1ALDH1A1
SCHEMBL100780 0.91 PDE7A (0.72) PDE7APDE7BPDE8ANPSR1ALDH1A1

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
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