SCHEMBL30837924

SCHEMBL30837924

O=CN1CCC(n2c(=O)n(Cc3cnc(-c4cccs4)nc3)c(=O)c3cc(OC(CF)CF)ccc32)CC1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE7A Q13946 10/20 0.64
▸ PDE7B Q9NP56 5/20 0.64
▸ PDE8A O60658 3/20 0.64
▸ OPRM1 P35372 3/20 0.33
▸ OPRL1 P41146 3/20 0.33
▸ CYP3A4 P08684 2/20 0.33
▸ CYP2D6 P10635 2/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ NPSR1 Q6W5P4 2/20 0.33
▸ ALDH1A1 P00352 2/20 0.33
▸ POLB P06746 1/20 0.33
▸ TSHR P16473 1/20 0.32
▸ CRHBP P24387 1/20 0.32
▸ CRHR2 Q13324 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ MEN1 O00255 1/20 0.32
▸ USP2 O75604 1/20 0.32
▸ CYP1A2 P05177 1/20 0.32
▸ CYP2C9 P11712 1/20 0.32
▸ HPGD P15428 1/20 0.32

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
SCHEMBL101124 1.00 PDE7A (0.64) PDE7APDE7BPDE8AOPRM1OPRL1
SCHEMBL30837928 0.92 PDE7A (0.65) PDE7APDE7BPDE8AOPRM1OPRL1
SCHEMBL100260 0.92 PDE7A (0.65) PDE7APDE7BPDE8AOPRM1OPRL1
SCHEMBL100882 0.89 PDE7A (0.69) PDE7APDE7BPDE8AOPRM1OPRL1
SCHEMBL30837969 0.89 PDE7A (0.69) PDE7APDE7BPDE8AOPRM1OPRL1
SCHEMBL100973 0.87 PDE7A (0.59) PDE7APDE7BPDE8AOPRM1OPRL1
SCHEMBL100335 0.86 PDE7A (0.60) PDE7APDE7BPDE8AOPRM1OPRL1
SCHEMBL100898 0.86 PDE7A (0.60) PDE7APDE7BPDE8AOPRM1OPRL1
SCHEMBL30837896 0.85 PDE7A (0.72) PDE7APDE7BPDE8AOPRM1OPRL1
SCHEMBL100855 0.85 PDE7A (0.72) PDE7APDE7BPDE8AOPRM1OPRL1

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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