SCHEMBL3013567

SCHEMBL3013567

C[C@H](NCCc1ccc(OCC(=O)OCc2ccccc2)cc1F)[C@@H](O)c1ccc(O)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 7/20 0.51
ADRB2 P07550 2/20 0.46
LMNA P02545 2/20 0.46
HIF1A Q16665 2/20 0.46
SLC6A2 P23975 2/20 0.46
SLC6A4 P31645 2/20 0.46
OPRM1 P35372 2/20 0.46
CYP2D6 P10635 1/20 0.46
GALR3 O60755 1/20 0.46
ADRB1 P08588 1/20 0.46
ADRA1A P35348 1/20 0.46
OPRK1 P41145 1/20 0.46
SLC6A3 Q01959 1/20 0.46
TMEM97 Q5BJF2 1/20 0.45
SIGMAR1 Q99720 1/20 0.45

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
SCHEMBL3013563 1.00 ADRB3 (0.51) ADRB3ADRB2LMNAHIF1ASLC6A2
Hydrochloric Acid SCHEMBL7723653 0.99 ADRB3 (0.52) ADRB3ADRB2LMNAHIF1ASLC6A2
Hydrochloric Acid SCHEMBL7723654 0.99 ADRB3 (0.52) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL6575103 0.90 ADRB3 (0.57) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL6575106 0.90 ADRB3 (0.57) ADRB3ADRB2LMNAHIF1ASLC6A2
Hydrochloric Acid SCHEMBL6576595 0.90 ADRB3 (0.58) ADRB3LMNAHIF1ASLC6A2SLC6A4
Hydrochloric Acid SCHEMBL6576599 0.90 ADRB3 (0.58) ADRB3LMNAHIF1ASLC6A2SLC6A4
SCHEMBL7723684 0.89 ADRB3 (0.61) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL7723687 0.89 ADRB3 (0.61) ADRB3ADRB2LMNAHIF1ASLC6A2
Hydrochloric Acid SCHEMBL7728728 0.88 ADRB3 (0.62) ADRB3ADRB2LMNAHIF1ASLC6A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100197788-A9 Preventive or therapeutic agent for disease caused by decrease in lacrimal fluid KISSEI PHARMACEUTICAL CO., LTD. (JP) 2010-08-05 US disclosed
US-20080306160-A1 Preventive or therapeutic agent for disease caused by decrease in lacrimal fluid KISSEI PHARMACEUTICAL CO., LTD. (JP) 2008-12-11 US disclosed
EP-1938837-A1 PREVENTIVE OR THERAPEUTIC AGENT FOR DISEASE CAUSED BY DECREASE IN LACRIMAL FLUID Kissei Pharmaceutical Co., Ltd. (JP) 2008-07-02 EP disclosed
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