SCHEMBL15614731

SCHEMBL15614731

CC1(C)OCc2cc([C@@H](O)CNCCCCCCOCCOCc3c(Cl)cccc3CI)ccc2O1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 20/20 0.54
ADRB1 P08588 15/20 0.54
MLNR O43193 1/20 0.54
NR1I2 O75469 1/20 0.54
ABCB11 O95342 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
DRD1 P21728 1/20 0.54
SLC6A2 P23975 1/20 0.54
HTR2A P28223 1/20 0.54
SLC6A4 P31645 1/20 0.54
ADRA1A P35348 1/20 0.54
PTGS2 P35354 1/20 0.54
MC3R P41968 1/20 0.54
SLC6A3 Q01959 1/20 0.54
PDE4D Q08499 1/20 0.54
SCN5A Q14524 1/20 0.54
GHSR Q92847 1/20 0.54
ADRB3 P13945 15/20 0.54

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
SCHEMBL23014462 0.94 ADRB2 (0.59) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL925689 0.94 ADRB2 (0.59) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL928498 0.94 ADRB2 (0.59) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL6428760 0.94 ADRB2 (0.59) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL2563406 0.85 ADRB2 (0.47) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL925085 0.83 ADRB2 (0.50) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL2586701 0.83 ADRB2 (0.50) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL28471346 0.82 ADRB2 (0.49) ADRB2ADRB1MLNRNR1I2ABCB11
SCHEMBL15614682 0.82 ADRB2 (0.45) ADRB2ADRB1SLC6A2HTR2ASLC6A4
SCHEMBL5434290 0.80 ADRB1 (0.41) ADRB2ADRB1MLNRNR1I2ABCB11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014041565-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF VILANTEROL AND INTERMEDIATES THEREOF LAURUS LABS PRIVATE LIMITED (IN) 2014-03-20 WO disclosed