SCHEMBL30837835

SCHEMBL30837835

CCOc1cccc(Cn2c(=O)c3cc(OC(CF)CF)ccc3n(C3CCN(C=O)CC3)c2=O)c1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.73
PDE7B Q9NP56 5/20 0.73
PDE8A O60658 3/20 0.73
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
C5AR1 P21730 1/20 0.35
PRKDC P78527 1/20 0.35
OPRM1 P35372 1/20 0.34
PLA2G2A P14555 1/20 0.34

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
SCHEMBL100149 1.00 PDE7A (0.73) PDE7APDE7BPDE8AALDH1A1POLB
SCHEMBL99901 0.92 PDE7A (0.71) PDE7APDE7BPDE8AALDH1A1POLB
SCHEMBL100744 0.92 PDE7A (0.80) PDE7APDE7BPDE8ACYP3A4CYP2D6
SCHEMBL30837822 0.92 PDE7A (0.80) PDE7APDE7BPDE8ACYP3A4CYP2D6
SCHEMBL100985 0.92 PDE7A (0.77) PDE7APDE7BPDE8APOLBNPSR1
SCHEMBL100958 0.91 PDE7A (0.73) PDE7APDE7BPDE8AALDH1A1POLB
SCHEMBL100754 0.89 PDE7A (0.83) PDE7APDE7BPDE8AALDH1A1POLB
SCHEMBL30837899 0.89 PDE7A (0.83) PDE7APDE7BPDE8AALDH1A1POLB
SCHEMBL100141 0.89 PDE7A (0.71) PDE7APDE7BPDE8AALDH1A1POLB
SCHEMBL100792 0.89 PDE7A (0.75) PDE7APDE7BPDE8AALDH1A1POLB

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