SCHEMBL16609252

SCHEMBL16609252

CCCCCN(CCc1ccc(NCCCCO)cc1)C[C@H](O)c1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.43
CYP51A1 Q16850 6/20 0.43
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
DRD3 P35462 4/20 0.42
DRD2 P14416 3/20 0.42
OPRM1 P35372 3/20 0.42
OPRD1 P41143 3/20 0.42
OPRK1 P41145 3/20 0.42
KCNH2 Q12809 2/20 0.39
CACNA1F O60840 1/20 0.38
CHRM2 P08172 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
HTR2A P28223 1/20 0.38
SLC6A4 P31645 1/20 0.38
CACNA1D Q01668 1/20 0.38
CACNA1S Q13698 1/20 0.38
CACNA1C Q13936 1/20 0.38

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
SCHEMBL16609253 0.94 ADRB2 (0.47) ADRB2CYP51A1BCHEACHE
SCHEMBL16609243 0.78 CYP51A1 (0.42) CYP51A1
SCHEMBL16609244 0.73 TSHR (0.47) OPRM1OPRD1KCNH2HTR2A
SCHEMBL11229386 0.72 SPHK1 (0.56) ACHECHRM2ADRA2BADRA2CCHRM3
SCHEMBL9784534 0.72 LMNA (0.54) ACHECHRM2ADRA2BADRA2CCHRM3
SCHEMBL11243546 0.70 SPHK1 (0.54) ACHECHRM2ADRA2BADRA2CCHRM3
SCHEMBL11241272 0.70 SPHK1 (0.54) ACHECHRM2ADRA2BADRA2CCHRM3
SCHEMBL11239892 0.70 SPHK1 (0.54) ACHECHRM2ADRA2BADRA2CCHRM3
SCHEMBL11237422 0.70 SPHK1 (0.54) ACHECHRM2ADRA2BADRA2CCHRM3
SCHEMBL11236120 0.70 SPHK1 (0.54) ACHECHRM2ADRA2BADRA2CCHRM3

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