SCHEMBL30837993

SCHEMBL30837993

O=CN1CCC(n2c(=O)n(Cc3ccc(-c4ccncc4)cc3)c(=O)c3cc(OC(CF)CF)ccc32)CC1

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
CYP3A4 P08684 8/20 0.40
CYP2D6 P10635 7/20 0.40
OPRM1 P35372 1/20 0.39
OPRL1 P41146 1/20 0.39
TSHR P16473 1/20 0.35
CRHBP P24387 1/20 0.35
CRHR2 Q13324 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
NPSR1 Q6W5P4 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
SCHEMBL100132 1.00 PDE7A (0.73) PDE7APDE7BPDE8ACYP3A4CYP2D6
SCHEMBL99919 0.93 PDE7A (0.78) PDE7APDE7BPDE8ACYP3A4CYP2D6
SCHEMBL30837882 0.92 PDE7A (0.71) PDE7APDE7BPDE8ACYP3A4CYP2D6
SCHEMBL101123 0.92 PDE7A (0.71) PDE7APDE7BPDE8ACYP3A4CYP2D6
SCHEMBL30837807 0.92 PDE7A (0.68) PDE7APDE7BPDE8ACYP3A4CYP2D6
SCHEMBL100203 0.92 PDE7A (0.68) PDE7APDE7BPDE8ACYP3A4CYP2D6
SCHEMBL30837845 0.90 PDE7A (0.70) PDE7APDE7BPDE8ACYP3A4CYP2D6
SCHEMBL101018 0.90 PDE7A (0.70) PDE7APDE7BPDE8ACYP3A4CYP2D6
SCHEMBL100794 0.89 PDE7A (0.78) PDE7APDE7BPDE8ACYP3A4CYP2D6
SCHEMBL100681 0.89 PDE7A (0.78) PDE7APDE7BPDE8ACYP3A4CYP2D6

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