SCHEMBL2489035

SCHEMBL2489035

CN(CCOCCCCCCNC(O)Cc1ccc(O)c2[nH]c(=O)ccc12)Cc1c(Cl)cccc1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 18/20 0.44
ADRB1 P08588 9/20 0.39
HPGD P15428 1/20 0.36
ADRB3 P13945 1/20 0.36
DRD2 P14416 1/20 0.36
MLNR O43193 1/20 0.35
NR1I2 O75469 1/20 0.35
ABCB11 O95342 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
DRD1 P21728 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2A P28223 1/20 0.35
SLC6A4 P31645 1/20 0.35
ADRA1A P35348 1/20 0.35
PTGS2 P35354 1/20 0.35
MC3R P41968 1/20 0.35
SLC6A3 Q01959 1/20 0.35
PDE4D Q08499 1/20 0.35
SCN5A Q14524 1/20 0.35
GHSR Q92847 1/20 0.35

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
SCHEMBL524433 0.83 ADRB2 (0.58) ADRB2ADRB1DRD2
SCHEMBL27849663 0.74 ADRB2 (0.68) ADRB2ADRB1DRD2DRD1
SCHEMBL2568208 0.68 ADRB2 (0.62) ADRB2ADRB1DRD2
SCHEMBL2566018 0.67 ADRB2 (0.76) ADRB2ADRB1ADRB3DRD2MLNR
SCHEMBL2564506 0.67 ADRB2 (0.54) ADRB2ADRB1DRD2
SCHEMBL2560331 0.67 ADRB2 (0.70) ADRB2ADRB1DRD2DRD1
SCHEMBL2563823 0.66 ADRB2 (0.56) ADRB2ADRB1ADRB3DRD2
SCHEMBL2563829 0.66 ADRB2 (0.56) ADRB2ADRB1ADRB3DRD2
SCHEMBL2563254 0.66 ADRB2 (0.60) ADRB2ADRB1
SCHEMBL2578225 0.66 ADRB2 (0.60) ADRB2ADRB1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013183-B1 DERIVATIVES OF 4-(2-AMINO-1-HYDROXIETHYL)PHENOL AS AGONISTS OF THE BETA2 ADRENERGIC RECEPTOR ALMIRALL SA (ES) 2011-11-02 EP claimed
EP-2379174-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT AstraZeneca AB (SE) 2011-10-26 EP disclosed
WO-2010071583-A1 PHARMACEUTICAL PRODUCT COMPRISING A P38 KINASE INHIBITOR AND A SECOND ACTIVE INGREDIENT ASTRAZENECA AB (SE) 2010-06-24 WO disclosed