SCHEMBL8263279

SCHEMBL8263279

Bc1ccccc1OC[C@@H](O)CNC1CCN(C(=O)COc2ccc(C3=NNC(=O)CC3)cc2Cl)CC1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ATF4 P18848 3/20 0.40
ABCB11 O95342 1/20 0.39
ADRB3 P13945 8/20 0.38
ADRB1 P08588 3/20 0.38
ADRB2 P07550 2/20 0.38
KDM4E B2RXH2 2/20 0.37
ALDH1A1 P00352 2/20 0.37
POLB P06746 2/20 0.37
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
RECQL P46063 1/20 0.36
LMNA P02545 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL4897732 0.94 MEN1 (0.42) ATF4ABCB11ADRB3ADRB1ADRB2
SCHEMBL4574895 0.94 MEN1 (0.42) ATF4ABCB11ADRB3ADRB1ADRB2
SCHEMBL14045484 0.93 ABCB11 (0.40) ATF4ABCB11ADRB3ADRB1ADRB2
SCHEMBL4892474 0.92 ABCB11 (0.39) ATF4ABCB11ADRB3ADRB1ADRB2
SCHEMBL4903835 0.92 ABCB11 (0.39) ATF4ABCB11ADRB3ADRB1ADRB2
SCHEMBL4892652 0.91 MEN1 (0.48) ATF4ABCB11ADRB3ADRB1ADRB2
SCHEMBL4892699 0.91 ADRB3 (0.43) ATF4ABCB11ADRB3ADRB1ADRB2
SCHEMBL4895738 0.91 ADRB3 (0.43) ATF4ABCB11ADRB3ADRB1ADRB2
SCHEMBL4923480 0.91 MEN1 (0.48) ATF4ABCB11ADRB3ADRB1ADRB2
SCHEMBL14046032 0.91 ABCB11 (0.39) ATF4ABCB11ADRB3ADRB1ADRB2

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
WO-2006060122-A2 CARDIOTONIC COMPOUNDS WITH INHIBITORY ACTIVITY AGAINST BETA-ADRENERGIC RECEPTORS AND PHOSPHODIESTERASE ARTESIAN THERAPEUTICS, INC. (US) 2006-06-08 WO disclosed