SCHEMBL9360625

SCHEMBL9360625

COc1ccc(CNc2cc(C(O)CNC(C)Cc3ccc4c(c3)OCO4)ccc2O)cc1

nearest known ligand 0.64

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.64
ADRB1 P08588 14/20 0.64
ADRB3 P13945 13/20 0.64
ADRA1A P35348 9/20 0.64
ADRA1D P25100 8/20 0.64
ADRA1B P35368 8/20 0.64
DRD2 P14416 2/20 0.59
PGR P06401 1/20 0.59
SLC6A4 P31645 1/20 0.59
PTGS2 P35354 1/20 0.59
SLC6A3 Q01959 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
TSHR P16473 1/20 0.59
MAPK1 P28482 1/20 0.59
CYP2C19 P33261 1/20 0.59
DRD3 P35462 1/20 0.59

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
SCHEMBL10446972 1.00 ADRB2 (0.64) ADRB2ADRB1ADRB3ADRA1AADRA1D
SCHEMBL9361014 1.00 ADRB2 (0.64) ADRB2ADRB1ADRB3ADRA1AADRA1D
Protokylol SCHEMBL50567 0.82 ADRB2 (0.76) ADRB2ADRB1ADRB3ADRA1AADRA1D
Protokylol SCHEMBL210099 0.81 ADRB2 (0.74) ADRB2ADRB1ADRB3ADRA1AADRA1D
SCHEMBL11191804 0.81 ADRB2 (0.68) ADRB2ADRB1ADRB3ADRA1AADRA1D
Protokylol SCHEMBL523029 0.80 ADRB2 (0.73) ADRB2ADRB1ADRB3ADRA1AADRA1D
SCHEMBL25858236 0.79 TAAR1 (0.60) SLC6A4SLC6A3CYP2D6TSHR
SCHEMBL11670365 0.78 ADRB3 (0.70) ADRB2ADRB1ADRB3ADRA1AADRA1D
SCHEMBL11810215 0.75 ADRB2 (0.73) ADRB2ADRB1ADRB3ADRA1AADRA1D
Arformoterol SCHEMBL3679114 0.75 ADRB2 (1.00) ADRB2ADRB1ADRB3ADRA1ADRD2

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
EP-0390762-B1 New bronchospasmolytic compounds and process for their preparation DRACO AB (SE) 1994-01-19 EP claimed
EP-0390762-A1 New bronchospasmolytic compounds and process for their preparation Aktiebolaget Draco (SE) 1990-10-03 EP claimed
JP-2286650-A None JP disclosed
EP-0390762-B1 New bronchospasmolytic compounds and process for their preparation DRACO AB (SE) 1994-01-19 EP disclosed
JP-H02286650-A NOVEL ANTIBRONCHOSPASMODIC COMPOUND AND ITS PRODUCTION DRACO:AB 1990-11-26 JP disclosed
EP-0390762-A1 New bronchospasmolytic compounds and process for their preparation Aktiebolaget Draco (SE) 1990-10-03 EP disclosed