SCHEMBL7954928

SCHEMBL7954928

N#Cc1ccc(Oc2ccc(N3CCN(c4ccncc4)CC3)cc2)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 2/20 0.61
HRH3 Q9Y5N1 2/20 0.61
KDM4E B2RXH2 1/20 0.54
TP53 P04637 1/20 0.54
HRH2 P25021 1/20 0.51
CYP19A1 P11511 1/20 0.50
ALDH1A1 P00352 3/20 0.48
CHEK1 O14757 1/20 0.47
ADRB2 P07550 1/20 0.46
NCF1 P14598 1/20 0.46
PLD1 Q13393 1/20 0.46
CHKA P35790 1/20 0.46
ITGB3 P05106 1/20 0.44
ITGA2B P08514 1/20 0.44
LTA4H P09960 4/20 0.44
CHRNA10 Q9GZZ6 1/20 0.43
CHRNA9 Q9UGM1 1/20 0.43
MAPT P10636 1/20 0.43
GAA P10253 1/20 0.43
LMNA P02545 1/20 0.42

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
SCHEMBL7956560 0.90 KDM4E (0.65) HRH1HRH3KDM4ETP53CYP19A1
SCHEMBL7947463 0.84 HRH3 (0.61) HRH1HRH3KDM4ETP53HRH2
SCHEMBL7954927 0.84 HRH1 (0.52) HRH1HRH3KDM4ETP53HRH2
SCHEMBL12635874 0.83 KDM4E (0.56) HRH1HRH3KDM4ETP53HRH2
SCHEMBL12634627 0.83 CHEK1 (0.58) HRH1HRH3KDM4ETP53ALDH1A1
SCHEMBL3056827 0.81 CYP19A1 (0.65) HRH1HRH3KDM4ECYP19A1ALDH1A1
SCHEMBL12635872 0.81 ALDH1A1 (0.65) HRH1HRH3KDM4ETP53HRH2
SCHEMBL7947342 0.80 HRH3 (0.68) HRH1HRH3HRH2ALDH1A1ADRB2
SCHEMBL2384959 0.79 KDM4E (0.80) HRH1HRH3KDM4ETP53ALDH1A1
SCHEMBL7954966 0.79 KDM4E (0.51) HRH1HRH3KDM4ETP53CYP19A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed