SCHEMBL7316487

SCHEMBL7316487

O=C1NCC(c2ccc(-n3ccc(=O)cc3)cc2)=NN1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 13/20 0.46
PDE3A Q14432 13/20 0.46
PDE4A P27815 2/20 0.46
PDE4B Q07343 2/20 0.46
PDE4C Q08493 2/20 0.46
PDE4D Q08499 2/20 0.46
MAPK1 P28482 2/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
GPR119 Q8TDV5 1/20 0.41
KMT2A Q03164 1/20 0.37
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PDE2A O00408 3/20 0.33
NPC1 O15118 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
SCHEMBL7318837 0.78 PDE3B (0.68) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL9835352 0.74 GPR119 (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL4624669 0.74 GPR119 (0.46) PDE3BPDE3ALMNATSHRGPR119
SCHEMBL7287880 0.74 GPR119 (0.46) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL7317752 0.74 GPR119 (0.58) PDE3BPDE3ALMNAGPR119KMT2A
SCHEMBL9670171 0.71 GPR119 (0.43) PDE3BPDE3APDE4APDE4BPDE4C
SCHEMBL10805730 0.71 PDE3B (0.43) PDE3BPDE3AGPR119KMT2AKCNH2
SCHEMBL10804020 0.71 GPR119 (0.46) PDE4APDE4BPDE4CPDE4DTSHR
SCHEMBL10805758 0.70 GPR119 (0.42) MAPK1GPR119IKBKB
SCHEMBL10804919 0.70 GPR119 (0.42) PDE3BPDE3APDE4APDE4BPDE4C

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
US-5066653-A Cardiovascular disorders; bronchodilators; phosphodiesterase inhibitors SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-19 US claimed
EP-0220044-A2 4(4-oxo-1,4-dihydropyridin-1-yl)phenyl derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-04-29 EP claimed
US-5246928-A Cardiovascular disorders SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-09-21 US disclosed
US-5066653-A Cardiovascular disorders; bronchodilators; phosphodiesterase inhibitors SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1991-11-19 US disclosed
US-4906628-A N-phenylpyridone type III phosphodiesterases SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1990-03-06 US disclosed
EP-0220044-A2 4(4-oxo-1,4-dihydropyridin-1-yl)phenyl derivatives SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1987-04-29 EP disclosed