SCHEMBL30837969

SCHEMBL30837969

O=CN1CCC(n2c(=O)n(Cc3ccc(-c4cccs4)cc3)c(=O)c3cc(OC(CF)CF)ccc32)CC1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 10/20 0.69
▸ PDE7B Q9NP56 5/20 0.69
▸ PDE8A O60658 3/20 0.69
▸ NPSR1 Q6W5P4 2/20 0.35
▸ 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
▸ DRD4 P21917 3/20 0.35
▸ HTR2A P28223 2/20 0.35
▸ OPRM1 P35372 2/20 0.34
▸ OPRL1 P41146 2/20 0.34
▸ DRD2 P14416 2/20 0.34
▸ DRD3 P35462 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ PPARG P37231 1/20 0.33
▸ PPARA Q07869 1/20 0.33

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
SCHEMBL100882 1.00 PDE7A (0.69) PDE7APDE7BPDE8ANPSR1TSHR
SCHEMBL99919 0.90 PDE7A (0.78) PDE7APDE7BPDE8ANPSR1TSHR
SCHEMBL100338 0.90 PDE7A (0.59) PDE7APDE7BPDE8ADRD4OPRM1
SCHEMBL100260 0.89 PDE7A (0.65) PDE7APDE7BPDE8AOPRM1OPRL1
SCHEMBL30837928 0.89 PDE7A (0.65) PDE7APDE7BPDE8AOPRM1OPRL1
SCHEMBL30837924 0.89 PDE7A (0.64) PDE7APDE7BPDE8ANPSR1TSHR
SCHEMBL101124 0.89 PDE7A (0.64) PDE7APDE7BPDE8ANPSR1TSHR
SCHEMBL100911 0.89 PDE7A (0.56) PDE7APDE7BPDE8ANPSR1TSHR
SCHEMBL100971 0.88 PDE7A (0.78) PDE7APDE7BPDE8AOPRM1OPRL1
SCHEMBL100132 0.88 PDE7A (0.73) PDE7APDE7BPDE8ANPSR1TSHR

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
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