SCHEMBL724700

SCHEMBL724700

CC(C)C(=O)Oc1ccc(C(=O)O)cc1CCCc1cccc(N(C(C)C)C(C)C)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.39
ADRA2A P08913 1/20 0.39
DRD2 P14416 1/20 0.39
ADRA2C P18825 1/20 0.39
DRD1 P21728 1/20 0.39
ADRA1A P35348 1/20 0.39
DRD3 P35462 1/20 0.39
PTGER1 P34995 1/20 0.38
PTGER4 P35408 1/20 0.38
PTGER3 P43115 1/20 0.38
PTGER2 P43116 1/20 0.38
LTB4R Q15722 1/20 0.37
GRIN2D O15399 1/20 0.37
GRIN2A Q12879 1/20 0.37
GRIN2B Q13224 1/20 0.37
GRIN2C Q14957 1/20 0.37
PDE4A P27815 3/20 0.37
PDE4B Q07343 3/20 0.37
PDE4C Q08493 3/20 0.37
PDE4D Q08499 3/20 0.37

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
SCHEMBL725536 0.87 PTGER1 (0.43) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL724228 0.87 PTGER1 (0.55) PTGER1PTGER4PTGER3PTGER2LTB4R
SCHEMBL1158253 0.86 CHRM2 (0.45) ADRB2ADRA2ADRD2ADRA2CDRD1
Hydrochloric Acid SCHEMBL723195 0.86 PTGER1 (0.54) PTGER1PTGER4PTGER3PTGER2LTB4R
Hydrochloric Acid SCHEMBL16166428 0.85 CHRM2 (0.45) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL7755007 0.85 ADRB2 (0.41) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL11301932 0.84 ADRB2 (0.38) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL3772824 0.84 ADRB2 (0.40) ADRB2ADRA2ADRD2ADRA2CDRD1
SCHEMBL6473875 0.84 GRIN2D (0.41) PTGER1PTGER4PTGER3PTGER2GRIN2D
SCHEMBL7755565 0.80 SLC6A2 (0.41) ADRB2ALDH1A1

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-2012025941-A2 PROCESSES FOR THE PREPARATION OF FESOTERODINE CADILA HEALTHCARE LIMITED (IN) 2012-03-01 WO disclosed