SCHEMBL7182431

SCHEMBL7182431

COc1ccc(CCCNC(O)Cc2ccc(O)c(NC=O)c2)cc1

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ ADRB2 P07550 12/20 0.56
▸ ADRB3 P13945 9/20 0.56
▸ ADRB1 P08588 7/20 0.56
▸ DRD2 P14416 2/20 0.56
▸ PGR P06401 1/20 0.56
▸ SLC6A4 P31645 1/20 0.56
▸ ADRA1A P35348 1/20 0.56
▸ PTGS2 P35354 1/20 0.56
▸ SLC6A3 Q01959 1/20 0.56
▸ CYP1A2 P05177 1/20 0.56
▸ CYP3A4 P08684 1/20 0.56
▸ CYP2D6 P10635 1/20 0.56
▸ TSHR P16473 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ CYP2C19 P33261 1/20 0.56
▸ DRD3 P35462 1/20 0.56
▸ IGF1R P08069 1/20 0.44
▸ ALOX15 P16050 1/20 0.44
▸ SIGMAR1 Q99720 1/20 0.44

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
SCHEMBL3412030 0.82 ADRB2 (0.66) ADRB2ADRB3ADRB1DRD2PGR
SCHEMBL3628729 0.81 ADRB2 (0.67) ADRB2ADRB3ADRB1DRD2PGR
SCHEMBL4458567 0.81 ADRB2 (0.67) ADRB2ADRB3ADRB1DRD2PGR
SCHEMBL14118053 0.81 ADRB2 (0.67) ADRB2ADRB3ADRB1DRD2PGR
SCHEMBL16716731 0.81 ADRB2 (0.54) ADRB2ADRB3ADRB1DRD2PGR
SCHEMBL15277792 0.80 ADRB2 (0.69) ADRB2ADRB3ADRB1DRD2PGR
SCHEMBL2354898 0.79 ADRB3 (0.53) ADRB2ADRB3ADRB1DRD2PGR
SCHEMBL10000683 0.78 ADRB2 (0.69) ADRB2ADRB3ADRB1DRD2PGR
SCHEMBL8347843 0.78 ADRB2 (0.69) ADRB2ADRB3ADRB1DRD2PGR
Fumaric Acid SCHEMBL29640688 0.78 ADRB2 (0.64) ADRB2ADRB3ADRB1DRD2PGR

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-1274433-A1 MEDICAMENTS FOR TREATING RESPIRATORY DISORDERS COMPRISING FORMOTEROL AND FLUTICASONE Innovata Biomed Limited (GB) 2003-01-15 — — EP disclosed
WO-2001078735-A1 MEDICAMENTS FOR TREATING RESPIRATORY DISORDERS COMPRISING FORMOTEROL AND FLUTICASONE INNOVATA BIOMED LIMITED (GB) 2001-10-25 — — WO disclosed
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