SCHEMBL16609248

SCHEMBL16609248

Nc1nc(CC(=O)Nc2ccc(CCNC[C@H](Cl)c3ccccc3)cc2)cs1

nearest known ligand 0.81

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 16/20 0.81
ADRB1 P08588 9/20 0.69
ADRB2 P07550 5/20 0.69
CYP2D6 P10635 1/20 0.54
SLC6A4 P31645 1/20 0.54
KCNH2 Q12809 1/20 0.54
CACNA1C Q13936 1/20 0.54
SCN5A Q14524 1/20 0.54
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
LMNA P02545 1/20 0.46
HTT P42858 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.43

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
Mirabegron SCHEMBL805237 0.90 ADRB3 (1.00) ADRB3ADRB1ADRB2CYP2D6SLC6A4
Mirabegron SCHEMBL904789 0.90 ADRB3 (1.00) ADRB3ADRB1ADRB2CYP2D6SLC6A4
Mirabegron SCHEMBL904788 0.90 ADRB3 (1.00) ADRB3ADRB1ADRB2CYP2D6SLC6A4
Mirabegron SCHEMBL1405678 0.89 ADRB3 (0.98) ADRB3ADRB1ADRB2CYP2D6SLC6A4
Mirabegron SCHEMBL1509286 0.89 ADRB3 (0.98) ADRB3ADRB1ADRB2CYP2D6SLC6A4
Mirabegron SCHEMBL15993771 0.89 ADRB3 (0.98) ADRB3ADRB1ADRB2CYP2D6SLC6A4
Mirabegron SCHEMBL15993769 0.89 ADRB3 (0.98) ADRB3ADRB1ADRB2CYP2D6SLC6A4
Mirabegron SCHEMBL16611070 0.87 ADRB3 (0.94) ADRB3ADRB1ADRB2CYP2D6SLC6A4
SCHEMBL11914560 0.87 ADRB3 (0.78) ADRB3ADRB1ADRB2CYP2D6SLC6A4
Hydrochloric Acid SCHEMBL28729981 0.86 ADRB3 (0.76) ADRB3ADRB1ADRB2CYP2D6SLC6A4

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-2015044965-A1 A PROCESS FOR PREPARATION OF MIRABEGRON AND ALPHA CRYSTALLINE FORM THEREOF MEGAFINE PHARMA (P) LTD. (IN) 2015-04-02 WO disclosed