SCHEMBL7203680

SCHEMBL7203680

O=C1NC(=O)C(=Cc2ccc(N3CCC(NCC(O)COc4cccc5[nH]c(=O)[nH]c45)CC3)c(Br)c2)S1

nearest known ligand 0.62

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 13/20 0.62
ADRB2 P07550 4/20 0.58
ADRB1 P08588 3/20 0.58
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
ALOX15 P16050 1/20 0.42
KMT2A Q03164 1/20 0.42
LMNA P02545 1/20 0.42
HPGD P15428 4/20 0.40
PTPN1 P18031 1/20 0.39

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
SCHEMBL6074643 1.00 ADRB3 (0.62) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL6074650 1.00 ADRB3 (0.62) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL6074487 0.92 ADRB3 (0.62) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL7178919 0.92 ADRB3 (0.62) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL6074479 0.92 ADRB3 (0.62) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL6074579 0.89 ADRB3 (0.76) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL6074581 0.89 ADRB3 (0.76) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL7198604 0.79 ADRB3 (0.61) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL6872047 0.78 ADRB3 (0.80) ADRB3ADRB2ADRB1MEN1CYP1A2
SCHEMBL7220467 0.78 ADRB3 (0.80) ADRB3ADRB2ADRB1MEN1CYP1A2

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
EP-1301482-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS Wyeth (US) 2003-04-16 EP disclosed
WO-2002006232-A1 CYCLIC AMINE PHENYL BETA-3 ADRENERGIC RECEPTOR AGONISTS WYETH (US) 2002-01-24 WO disclosed