SCHEMBL30837873

SCHEMBL30837873

COCCOc1ccc(Cn2c(=O)c3cc(OC(CF)CF)ccc3n(C3CCN(C=O)CC3)c2=O)cc1Cl

nearest known ligand 0.76

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
PDE7A Q13946 10/20 0.76
PDE7B Q9NP56 5/20 0.76
PDE8A O60658 3/20 0.76
S1PR1 P21453 1/20 0.37
P2RX3 P56373 3/20 0.36
OPRL1 P41146 3/20 0.34
OPRM1 P35372 2/20 0.34
OPRD1 P41143 1/20 0.34
PRKDC P78527 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 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
SCHEMBL99871 1.00 PDE7A (0.76) PDE7APDE7BPDE8AS1PR1P2RX3
SCHEMBL100773 0.92 PDE7A (0.77) PDE7APDE7BPDE8AS1PR1P2RX3
SCHEMBL100702 0.92 PDE7A (0.87) PDE7APDE7BPDE8AS1PR1OPRL1
SCHEMBL30837864 0.92 PDE7A (0.87) PDE7APDE7BPDE8AS1PR1OPRL1
SCHEMBL100198 0.91 PDE7A (0.75) PDE7APDE7BPDE8AS1PR1P2RX3
SCHEMBL100192 0.91 PDE7A (0.79) PDE7APDE7BPDE8AS1PR1P2RX3
SCHEMBL101108 0.89 PDE7A (0.73) PDE7APDE7BPDE8AS1PR1P2RX3
SCHEMBL100689 0.88 PDE7A (0.77) PDE7APDE7BPDE8AS1PR1OPRM1
SCHEMBL30837887 0.88 PDE7A (0.77) PDE7APDE7BPDE8AS1PR1OPRM1
SCHEMBL100165 0.87 PDE7A (0.74) PDE7APDE7BPDE8AS1PR1P2RX3

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