SCHEMBL6779429

SCHEMBL6779429

COc1cc2nc(N(C)CCNC(=O)c3cc(C)cc(C)c3)nc(N)c2cc1OC

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 3/20 0.54
GAA P10253 3/20 0.54
KDM4E B2RXH2 2/20 0.54
ALDH1A1 P00352 2/20 0.54
HPGD P15428 2/20 0.54
HSD17B10 Q99714 2/20 0.54
LMNA P02545 2/20 0.54
SLC22A1 O15245 1/20 0.54
ADRA2A P08913 1/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
ACHE P22303 1/20 0.54
SLC6A2 P23975 1/20 0.54
ADRA1D P25100 1/20 0.54
ADRA1A P35348 1/20 0.54
ADRA1B P35368 1/20 0.54
DRD3 P35462 1/20 0.54
KCNH2 Q12809 1/20 0.54
POLB P06746 1/20 0.50
SMARCA2 P51531 1/20 0.50

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
SCHEMBL6785331 0.81 TP53 (0.52) POLBKMT2A
SCHEMBL8116591 0.79 GLA (0.63) GLAGAAKDM4EALDH1A1HPGD
SCHEMBL8930316 0.79 ABCB1 (0.44) ADRA2AADRA2BADRA2CADRA1DADRA1A
SCHEMBL6781777 0.79 TP53 (0.50) GAAKDM4EALDH1A1HPGDPOLB
SCHEMBL6779130 0.77 ADRA1D (0.60) ADRA1DADRA1AADRA1B
SCHEMBL5462447 0.76 ADRA1D (0.73) ADRA1DADRA1AADRA1B
SCHEMBL13941828 0.75 LMNA (0.68) GLAGAALMNAADRA1DADRA1A
SCHEMBL15887987 0.74 KDM4E (0.62) GLAGAAKDM4EALDH1A1HPGD
SCHEMBL1512503 0.74 ADRA1D (0.77) ADRA1DADRA1AADRA1B
SCHEMBL6780800 0.74 ADRA1D (0.61) ADRA1DADRA1AADRA1B

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