SCHEMBL7699673

SCHEMBL7699673

CCCCCCNC(=O)Nc1ccc(CNC(=O)N2CCC(Nc3ccc(CCNCC(O)COc4ccc(O)cc4)cc3)CC2)cc1

nearest known ligand 0.85

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 20/20 0.85
ADRB1 P08588 18/20 0.85
ADRB2 P07550 5/20 0.65
KDM4E B2RXH2 1/20 0.65
MEN1 O00255 1/20 0.65
CYP3A4 P08684 1/20 0.65
MAPT P10636 1/20 0.65
ALOX15 P16050 1/20 0.65
TSHR P16473 1/20 0.65
BLM P54132 1/20 0.65
KMT2A Q03164 1/20 0.65
GPR65 Q8IYL9 1/20 0.65
TDP1 Q9NUW8 1/20 0.65

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
SCHEMBL7095234 1.00 ADRB3 (0.85) ADRB3ADRB1ADRB2KDM4EMEN1
SCHEMBL7094547 0.92 ADRB3 (1.00) ADRB3ADRB1ADRB2KDM4EMEN1
SCHEMBL7091469 0.91 ADRB3 (0.79) ADRB3ADRB1ADRB2KDM4EMEN1
SCHEMBL7096881 0.88 ADRB3 (0.91) ADRB3ADRB1ADRB2KDM4EMEN1
SCHEMBL7587081 0.88 ADRB3 (0.91) ADRB3ADRB1ADRB2KDM4EMEN1
SCHEMBL7594822 0.87 ADRB3 (0.65) ADRB3ADRB1ADRB2KDM4EMEN1
SCHEMBL7235833 0.87 ADRB3 (0.65) ADRB3ADRB1ADRB2KDM4EMEN1
SCHEMBL7090768 0.87 ADRB3 (0.79) ADRB3ADRB1ADRB2KDM4EMEN1
SCHEMBL7096112 0.86 ADRB3 (0.85) ADRB3ADRB1ADRB2
SCHEMBL7164357 0.86 ADRB3 (0.85) ADRB3ADRB1ADRB2

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-2002006229-A2 HETEROCYCLIC BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed