SCHEMBL7728744

SCHEMBL7728744

C[C@H](NCCc1ccc(OCC(=O)OCc2ccccc2)cc1)[C@@H](O)c1ccc(O)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 3/20 0.60
LMNA P02545 3/20 0.60
SLC6A2 P23975 3/20 0.60
OPRM1 P35372 3/20 0.60
ADRB1 P08588 3/20 0.60
HIF1A Q16665 2/20 0.60
SLC6A4 P31645 2/20 0.60
ADRA1A P35348 2/20 0.60
OPRK1 P41145 2/20 0.60
SLC6A3 Q01959 2/20 0.60
CYP2D6 P10635 1/20 0.60
GALR3 O60755 1/20 0.60
ADRB3 P13945 8/20 0.59
TMEM97 Q5BJF2 1/20 0.59
SIGMAR1 Q99720 1/20 0.59
HTR1A P08908 1/20 0.49
ADRA2A P08913 1/20 0.49
ADRA2B P18089 1/20 0.49
ADRA2C P18825 1/20 0.49
HTR2A P28223 1/20 0.49

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
SCHEMBL7728737 1.00 ADRB2 (0.60) ADRB2LMNASLC6A2OPRM1ADRB1
Hydrochloric Acid SCHEMBL7723671 0.99 ADRB3 (0.61) ADRB2LMNASLC6A2OPRM1ADRB1
Hydrochloric Acid SCHEMBL7723673 0.99 ADRB3 (0.61) ADRB2LMNASLC6A2OPRM1ADRB1
SCHEMBL7724409 0.89 ADRB3 (0.72) ADRB2LMNASLC6A2OPRM1ADRB1
SCHEMBL7724401 0.89 ADRB3 (0.72) ADRB2LMNASLC6A2OPRM1ADRB1
SCHEMBL3013563 0.87 ADRB3 (0.51) ADRB2LMNASLC6A2OPRM1ADRB1
SCHEMBL3013567 0.87 ADRB3 (0.51) ADRB2LMNASLC6A2OPRM1ADRB1
SCHEMBL6373611 0.86 ADRB3 (0.70) ADRB2LMNASLC6A2OPRM1ADRB1
SCHEMBL2495187 0.86 ADRB3 (0.70) ADRB2LMNASLC6A2OPRM1ADRB1
SCHEMBL2440293 0.86 ADRB3 (0.70) ADRB2LMNASLC6A2OPRM1ADRB1

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
US-6399660-B1 AMINOETHYLPHENOXYACETIC ACID COMPOUND KISSEI PHARMACEUTICAL CO., LTD. (JP) 2002-06-04 US disclosed
EP-1002791-A1 AMINOETHYLPHENOXYACETIC ACID DERIVATIVES AND DRUGS FOR PAIN REMISSION AND CALCULI REMOVAL PROMOTION IN URINARY LITHIASIS Kissei Pharmaceutical Co., Ltd. (JP) 2000-05-24 EP disclosed