SCHEMBL10365547

SCHEMBL10365547

CCCCc1[nH]c(=O)c(C)cc1-c1ccc(-n2ccnc2)s1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE4A P27815 4/20 0.36
▸ PDE4B Q07343 4/20 0.36
▸ PDE4C Q08493 4/20 0.36
▸ PDE4D Q08499 4/20 0.36
▸ APLNR P35414 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP19A1 P11511 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ PDE3B Q13370 3/20 0.34
▸ PDE3A Q14432 3/20 0.34
▸ PDE2A O00408 1/20 0.34
▸ PDE1A P54750 1/20 0.34
▸ PDE1B Q01064 1/20 0.34
▸ PDE1C Q14123 1/20 0.34
▸ IGF1R P08069 1/20 0.33
▸ IDH1 O75874 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL10363632 0.94 PDE3B (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10363287 0.89 PDE4A (0.42) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL10365674 0.83 PDE3B (0.45) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL10363624 0.82 PDE4A (0.37) PDE4APDE4BPDE4CPDE4DAPLNR
Hydrochloric Acid SCHEMBL10367895 0.82 PDE3B (0.44) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL10763411 0.81 PDE3B (0.51) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL10950326 0.81 ADH5 (0.35) PDE4APDE4BPDE4CPDE4DCYP1A2
SCHEMBL10365667 0.76 PDE4A (0.38) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10763565 0.74 PDE3B (0.53) PDE4APDE4BPDE4CPDE4DPDE3B
SCHEMBL10365504 0.73 PDE4A (0.40) PDE4APDE4BPDE4CPDE4DCYP1A2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0175187-B1 3,4-DIHYDRO-2(1H)-PYRIDONES AND 2(1H)-PYRIDONES CONTAINING IMIDAZOLE GROUPS, METHOD FOR THEIR PREPARATION AND MEDICAMENTS CONTAINING THEM A. Nattermann & Cie. GmbH (DE) 1990-01-10 — — EP disclosed
US-4699914-A CONGESTIVE HEART FAILURE A. NATTERMANN & CIE GMBH (DE) 1987-10-13 — — US disclosed
EP-0175187-A1 3,4-Dihydro-2(1H)-pyridones and 2(1H)-pyridones containing imidazole groups, method for their preparation and medicaments containing them A. Nattermann & Cie. GmbH (DE) 1986-03-26 — — EP disclosed
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