SCHEMBL6780798

SCHEMBL6780798

CCCN(CCCNC(=O)c1cc(CC)cc(CC)c1)c1nc(N)c2cc(OC)c(OC)cc2n1

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.48
ALDH1A1 P00352 2/20 0.48
GLA P06280 2/20 0.48
GAA P10253 2/20 0.48
HPGD P15428 2/20 0.48
HSD17B10 Q99714 2/20 0.48
ADRA1D P25100 2/20 0.48
ADRA1A P35348 2/20 0.48
ADRA1B P35368 2/20 0.48
SLC22A1 O15245 1/20 0.48
ADRA2A P08913 1/20 0.48
ADRA2B P18089 1/20 0.48
ADRA2C P18825 1/20 0.48
ACHE P22303 1/20 0.48
SLC6A2 P23975 1/20 0.48
DRD3 P35462 1/20 0.48
KCNH2 Q12809 1/20 0.48
LMNA P02545 1/20 0.48
HTR1A P08908 1/20 0.46

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
SCHEMBL6779429 0.74 GLA (0.54) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL6784767 0.73 ADRA1D (0.46) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL5462447 0.71 ADRA1D (0.73) ADRA1DADRA1AADRA1B
SCHEMBL15887987 0.70 KDM4E (0.62) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL14473121 0.70 KDM4E (0.59) KDM4EALDH1A1GLAGAAHPGD
SCHEMBL11871051 0.70 LMNA (0.68) GLAGAALMNA
SCHEMBL6781233 0.70 ADRA1D (0.54) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL13941828 0.69 LMNA (0.68) GLAGAAADRA1DADRA1AADRA1B
SCHEMBL6781777 0.69 TP53 (0.50) KDM4EALDH1A1GAAHPGD
SCHEMBL6784772 0.68 ADRA1D (0.45) ADRA1DADRA1AADRA1BHTR1A

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-6706705-B1 SLOW AND CONTINUOUS BLOOD PRESSURE REDUCING ACTION AND IS USEFUL AS AN ANTIHYPERTENSIVE AGENT NIPPON CHEMIPHAR CO., LTD. (JP) 2004-03-16 US disclosed
EP-0794178-A1 QUINAZOLINE DERIVATIVE NIPPON CHEMIPHAR CO., LTD. (JP) 1997-09-10 EP disclosed