SCHEMBL3027490

SCHEMBL3027490

CCOC(=O)COc1ccc(CCN[C@@H](C)[C@H](O)c2ccc(O)cc2)cc1Br

nearest known ligand 0.80

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ADRB3 P13945 8/20 0.80
ADRB2 P07550 2/20 0.54
LMNA P02545 2/20 0.54
HIF1A Q16665 2/20 0.54
SLC6A2 P23975 2/20 0.54
SLC6A4 P31645 2/20 0.54
OPRM1 P35372 2/20 0.54
ADRB1 P08588 2/20 0.54
CYP2D6 P10635 1/20 0.54
GALR3 O60755 1/20 0.54
ADRA1A P35348 1/20 0.54
OPRK1 P41145 1/20 0.54
SLC6A3 Q01959 1/20 0.54
TMEM97 Q5BJF2 1/20 0.53
SIGMAR1 Q99720 1/20 0.53

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
SCHEMBL3027493 1.00 ADRB3 (0.80) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL6813494 0.90 ADRB3 (0.82) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL6813492 0.90 ADRB3 (0.82) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL3009513 0.90 ADRB3 (0.82) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL3009506 0.90 ADRB3 (0.82) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL6814809 0.90 ADRB3 (0.81) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL6809798 0.90 ADRB3 (0.81) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL6809793 0.90 ADRB3 (0.81) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL6814798 0.90 ADRB3 (0.81) ADRB3ADRB2LMNAHIF1ASLC6A2
SCHEMBL6814467 0.89 ADRB3 (0.80) 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 6 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
EP-1095932-B1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME KISSEI PHARMACEUTICAL (JP) 2004-05-19 EP disclosed
US-6538152-B1 Obesity, hyperglycemia, urinary incontinence, intestinal or biliary calculi hypermotility, pollakiuria and depression treatment KISSEI PHARMACEUTICAL CO., LTD. (JP) 2003-03-25 US disclosed
EP-1095932-A1 PHENOXYACETIC ACID DERIVATIVES AND MEDICINAL COMPOSITIONS CONTAINING THE SAME Kissei Pharmaceutical Co., Ltd. (JP) 2001-05-02 EP disclosed