SCHEMBL30837894

SCHEMBL30837894

O=CN1CCC(n2c(=O)n(Cc3ccc(CN4CCOCC4)cc3)c(=O)c3cc(OC(CF)CF)ccc32)CC1

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.73
PDE7B Q9NP56 5/20 0.73
PDE8A O60658 3/20 0.73
CYP3A4 P08684 3/20 0.39
PDE1B Q01064 4/20 0.37
CYP2D6 P10635 1/20 0.37
OPRL1 P41146 1/20 0.35
HDAC1 Q13547 1/20 0.35

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
SCHEMBL100995 1.00 PDE7A (0.73) PDE7APDE7BPDE8ACYP3A4PDE1B
SCHEMBL100805 0.95 PDE7A (0.70) PDE7APDE7BPDE8ACYP3A4CYP2D6
SCHEMBL30837917 0.93 PDE7A (0.72) PDE7APDE7BPDE8APDE1BHDAC1
SCHEMBL100123 0.93 PDE7A (0.72) PDE7APDE7BPDE8APDE1BHDAC1
SCHEMBL100959 0.93 PDE7A (0.76) PDE7APDE7BPDE8ACYP3A4CYP2D6
SCHEMBL101039 0.93 PDE7A (0.67) PDE7APDE7BPDE8AHDAC1
SCHEMBL100964 0.92 PDE7A (0.75) PDE7APDE7BPDE8ACYP3A4PDE1B
SCHEMBL100806 0.91 PDE7A (0.75) PDE7APDE7BPDE8ACYP3A4PDE1B
SCHEMBL100223 0.91 PDE7A (0.73) PDE7APDE7BPDE8ACYP3A4PDE1B
SCHEMBL30837961 0.90 PDE7A (0.79) PDE7APDE7BPDE8ACYP3A4PDE1B

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