SCHEMBL30837809

SCHEMBL30837809

CCOc1cc(Cn2c(=O)c3cc(OC(CF)CF)c(F)cc3n(C3CCN(C=O)CC3)c2=O)ccc1OCc1ccc(Cl)c(Cl)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.58
PDE7B Q9NP56 5/20 0.58
PDE8A O60658 3/20 0.58
S1PR1 P21453 2/20 0.36
S1PR5 Q9H228 1/20 0.36
SMN1; SMN2 Q16637 3/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
FFAR1 O14842 1/20 0.33
HCRTR1 O43613 1/20 0.33
HCRTR2 O43614 1/20 0.33
OPRM1 P35372 1/20 0.32
TSHR P16473 1/20 0.32
CRHBP P24387 1/20 0.32
CRHR2 Q13324 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
MEN1 O00255 1/20 0.31

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
SCHEMBL100505 1.00 PDE7A (0.58) PDE7APDE7BPDE8AS1PR1S1PR5
SCHEMBL101241 0.94 PDE7A (0.66) PDE7APDE7BPDE8AS1PR1S1PR5
SCHEMBL100290 0.94 PDE7A (0.66) PDE7APDE7BPDE8AS1PR1S1PR5
SCHEMBL30837851 0.94 PDE7A (0.66) PDE7APDE7BPDE8AS1PR1S1PR5
SCHEMBL100182 0.93 PDE7A (0.56) PDE7APDE7BPDE8AS1PR1S1PR5
SCHEMBL101007 0.93 PDE7A (0.58) PDE7APDE7BPDE8AS1PR1S1PR5
SCHEMBL100429 0.93 PDE7A (0.66) PDE7APDE7BPDE8ASMN1; SMN2HCRTR1
SCHEMBL30837990 0.93 PDE7A (0.66) PDE7APDE7BPDE8ASMN1; SMN2HCRTR1
SCHEMBL101209 0.90 PDE7A (0.59) PDE7APDE7BPDE8AS1PR1S1PR5
SCHEMBL100388 0.89 PDE7A (0.72) PDE7APDE7BPDE8ATSHRMEN1

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