SCHEMBL8991683

SCHEMBL8991683

O=c1[nH]c(=O)n(CC2CC2)c2nc[nH]c12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE4A P27815 6/20 0.64
PDE4B Q07343 6/20 0.64
PDE4C Q08493 6/20 0.64
PDE4D Q08499 6/20 0.64
ADORA2A P29274 6/20 0.64
ADORA2B P29275 3/20 0.61
ADORA3 P0DMS8 1/20 0.61
HPGD P15428 1/20 0.61
ADORA1 P30542 1/20 0.61
BLM P54132 1/20 0.61
PDE3A Q14432 1/20 0.61
HSD17B10 Q99714 1/20 0.61
PNP P00491 1/20 0.58
MPO P05164 2/20 0.52
TPO P07202 2/20 0.52
MEN1 O00255 1/20 0.47
ALDH1A1 P00352 1/20 0.47
CYP3A4 P08684 1/20 0.47
KMT2A Q03164 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL10978398 0.93 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL1461291 0.86 MPO (0.70) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL1460900 0.80 MPO (0.69) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL5515323 0.78 ADORA2A (0.71) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7466316 0.78 ADORA2A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7029046 0.78 PDE4A (0.59) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL7345938 0.77 PDE5A (0.66) PDE4APDE4BPDE4CPDE4DADORA2A
SCHEMBL6141778 0.77 ADORA2A (0.64) PDE4APDE4BPDE4CPDE4DADORA2A
Enprofylline SCHEMBL1817246 0.76 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A
Enprofylline SCHEMBL156402 0.76 PDE4A (1.00) PDE4APDE4BPDE4CPDE4DADORA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0510561-B1 Oral, cutaneous and intravaginal pharmaceutical compositions in the form of foam POLI IND CHIMICA SPA (IT) 1996-07-24 EP claimed
US-5369131-A Oral, cutaneous and intravaginal pharmaceutical compositions in the form of foam POLI INDUSTRIA CHIMICA S.P.A. (IT) 1994-11-29 US claimed
EP-0510561-A1 Oral, cutaneous and intravaginal pharmaceutical compositions in the form of foam POLI INDUSTRIA CHIMICA S.p.A. (IT) 1992-10-28 EP claimed
JP-3200787-A None JP disclosed
JP-H03200787-A XANTHINE DERIVATIVE, PROCESS FOR THE PREPARATION THEREOF AND BRONCHODILATOR CONTAINING IT POLI IND CHIM SPA 1991-09-02 JP disclosed
EP-0386683-A2 Xanthine derivatives having bronchodilating activity, a process for the preparation thereof and pharmaceutical compositions containing them POLI INDUSTRIA CHIMICA S.p.A. (IT) 1990-09-12 EP disclosed