SCHEMBL7093510

SCHEMBL7093510

COc1ccc(Cn2c(N)cc(=O)[nH]c2=O)cc1OC1CCCC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.56
MTNR1B P49286 1/20 0.56
PDE4B Q07343 14/20 0.53
GAA P10253 1/20 0.49
MAPK1 P28482 1/20 0.49
ALDH1A1 P00352 1/20 0.49
CYP3A4 P08684 1/20 0.49
HPGD P15428 1/20 0.49
PDE4A P27815 8/20 0.48
PDE4C Q08493 5/20 0.48
PDE4D Q08499 5/20 0.48

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
SCHEMBL7734184 0.90 GAA (0.61) MTNR1AMTNR1BPDE4BGAAMAPK1
SCHEMBL7325383 0.86 MTNR1A (0.68) MTNR1AMTNR1BGAAMAPK1ALDH1A1
SCHEMBL7092242 0.86 MTNR1A (0.57) MTNR1AMTNR1BPDE4BGAAMAPK1
SCHEMBL7088468 0.81 PDE4B (0.48) PDE4BALDH1A1HPGDPDE4APDE4C
SCHEMBL6673366 0.78 PDE4B (0.48) PDE4BGAAMAPK1PDE4APDE4C
SCHEMBL7676935 0.77 PDE4B (0.48) PDE4BPDE4APDE4CPDE4D
SCHEMBL7556840 0.77 PDE4B (0.55) PDE4BPDE4APDE4CPDE4D
SCHEMBL7092998 0.76 PDE4B (0.60) PDE4BPDE4APDE4CPDE4D
SCHEMBL7088560 0.76 KDM4E (0.50) PDE4BALDH1A1HPGDPDE4APDE4C
SCHEMBL7031802 0.75 PDE4B (0.45) PDE4BGAAMAPK1PDE4APDE4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0814809-B1 ARYL THIOXANTHINES EURO CELTIQUE SA (LU) 2003-08-13 EP disclosed
US-6440979-B1 Aryl isoguanines EURO-CELTIQUE, S.A. (LU) 2002-08-27 US disclosed
US-6090816-A ANTIASTHMA AGENTS EURO-CELTIQUE S.A. (LU) 2000-07-18 US disclosed
US-6066641-A PHOSPHODIESTERASES AS MOLECULAR TARGETS FOR ANTI-ASTHMATIC AGENTS EURO-CELTIQUE S.A. (LU) 2000-05-23 US disclosed
EP-0814809-A4 ARYL THIOXANTHINES EURO CELTIQUE SA (LU) 1998-04-01 EP disclosed
EP-0814809-A1 ARYL THIOXANTHINES Euroceltique S.A. (LU) 1998-01-07 EP disclosed
WO-1996018399-A1 ARYL THIOXANTHINES EURO-CELTIQUE, S.A. (LU) 1996-06-20 WO disclosed