SCHEMBL7427262

SCHEMBL7427262

CC1SC(=O)NN=C1c1ccc2c(c1)C1(CCCCC1)C(=O)N2

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 10/20 1.00
PDE4B Q07343 10/20 1.00
PDE4C Q08493 10/20 1.00
PDE4D Q08499 10/20 1.00
PDE3B Q13370 10/20 1.00
PDE3A Q14432 10/20 1.00
PGR P06401 10/20 0.52

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
SCHEMBL7432713 0.99 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7383314 0.94 PDE3B (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7267795 0.82 PDE3B (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7427801 0.82 PDE3B (1.00) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7433543 0.81 PDE3B (0.69) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7428378 0.81 PDE3B (0.78) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10386700 0.80 PDE3B (0.73) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7429101 0.79 PDE3B (0.71) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7431842 0.79 PDE3B (0.75) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL7438172 0.77 PDE3B (0.69) PDE4APDE4BPDE4CPDE4DPDE3B

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
US-4933336-A Thiadiazinone, oxadiazinone and triazinone derivatives, and their use for treating acute or chronic heart disease LABORATOIRES SOBIO S.A. (FR) 1990-06-12 US disclosed
EP-0303418-A2 Substituted indolones, useful in the treatment of heart or asthmatic diseases SMITHKLINE BEECHAM LABORATOIRES PHARMACEUTIQUES (FR) 1989-02-15 EP disclosed