SCHEMBL7778756

SCHEMBL7778756

Nc1cccc(C(CO)NCCOc2ccc3c(c2)[nH]c2ccccc23)c1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSV O60911 1/20 0.38
CTSL P07711 1/20 0.38
KIF11 P52732 5/20 0.37
THRB P10828 1/20 0.36
HTT P42858 1/20 0.36
CDK4 P11802 1/20 0.36
CCND1 P24385 1/20 0.36
KDM4E B2RXH2 2/20 0.34
MAOA P21397 1/20 0.34
ROCK2 O75116 1/20 0.34
ADRB2 P07550 2/20 0.33
ADRB3 P13945 1/20 0.33
ADRA1A P35348 1/20 0.33
PDPK1 O15530 1/20 0.33
TLR4 O00206 1/20 0.33
MCL1 Q07820 1/20 0.33
CYP2D6 P10635 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HPGD P15428 1/20 0.33

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
SCHEMBL7778742 0.84 CTSV (0.42) CTSVCTSLKIF11THRBHTT
SCHEMBL7782053 0.84 CTSV (0.43) CTSVCTSLHTTALDH1A1
SCHEMBL7781279 0.83 KIF11 (0.39) CTSVCTSLKIF11THRBHTT
SCHEMBL6911048 0.82 ADRB3 (0.49) ADRB2ADRB3ADRA1A
SCHEMBL7781344 0.80 ADRB2 (0.40) CTSVCTSLKIF11THRBHTT
SCHEMBL7778926 0.79 KIF11 (0.41) CTSVCTSLKIF11THRBHTT
SCHEMBL7779190 0.76 CTSV (0.45) CTSVCTSLMAOAADRA1A
SCHEMBL6912018 0.74 ALOX15 (0.54) CTSVCTSLKDM4EADRB2ADRB3
SCHEMBL6912318 0.74 ALOX15 (0.54) CTSVCTSLKDM4EADRB2ADRB3
SCHEMBL6905931 0.74 ALOX15 (0.54) CTSVCTSLKDM4EADRB2ADRB3

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
EP-1128845-A1 COMBINATIONS COMPRISING A BETA-AGONIST AND A FURTHER ANTDIABETIC AGENT SMITHKLINE BEECHAM PLC (GB) 2001-09-05 EP disclosed
WO-2000027434-A1 COMBINATIONS COMPRISING A BETA-AGONIST AND A FURTHER ANTIDIABETIC AGENT SMITHKLINE BEECHAM P.L.C. (GB) 2000-05-18 WO disclosed