SCHEMBL30837862

SCHEMBL30837862

COc1ccc(Cn2c(=O)c3cc(CNC=O)ccc3n(C3CCN(C=O)CC3)c2=O)cc1OC

nearest known ligand 0.73

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.73
PDE7B Q9NP56 5/20 0.72
PDE8A O60658 3/20 0.72
TP53 P04637 4/20 0.38
SIGMAR1 Q99720 1/20 0.38
THRB P10828 1/20 0.37
OPRM1 P35372 1/20 0.37
OPRL1 P41146 1/20 0.37
C5AR1 P21730 1/20 0.37
LMNA P02545 1/20 0.37
TSHR P16473 1/20 0.37
HTT P42858 1/20 0.37
RXFP1 Q9HBX9 1/20 0.36

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
SCHEMBL100653 1.00 PDE7A (0.73) PDE7APDE7BPDE8ATP53SIGMAR1
SCHEMBL100111 0.95 PDE7A (0.81) PDE7APDE7BPDE8ATP53SIGMAR1
SCHEMBL99906 0.89 PDE7A (0.91) PDE7APDE7BPDE8ATP53OPRM1
SCHEMBL100066 0.89 PDE7A (0.68) PDE7APDE7BPDE8ATP53OPRM1
SCHEMBL30837805 0.89 PDE7A (0.91) PDE7APDE7BPDE8ATP53OPRM1
SCHEMBL10082767 0.89 PDE7A (0.60) PDE7APDE7BPDE8ASIGMAR1
SCHEMBL10320444 0.88 PDE7A (0.76) PDE7APDE7BPDE8ATP53SIGMAR1
SCHEMBL30837883 0.88 PDE7A (0.76) PDE7APDE7BPDE8ATP53SIGMAR1
SCHEMBL100675 0.88 PDE7A (0.76) PDE7APDE7BPDE8ATP53SIGMAR1
SCHEMBL99714 0.87 PDE7A (0.76) PDE7APDE7BPDE8ATP53SIGMAR1

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