SCHEMBL3155229

SCHEMBL3155229

O=C1O[C@]2(CC[C@@H](CO)CC2)CN1c1ccc2c(c1)OCCO2

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SSTR5 P35346 3/20 0.46
KMT2A Q03164 3/20 0.42
GRK2 P25098 1/20 0.42
CTDSP1 Q9GZU7 1/20 0.42
HSD11B1 P28845 1/20 0.39
POLB P06746 1/20 0.39
HTR1A P08908 1/20 0.38
ADRA2A P08913 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2C P18825 1/20 0.38
ADRA1D P25100 1/20 0.38
ADRA1A P35348 1/20 0.38
ADRA1B P35368 1/20 0.38
DRD3 P35462 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.38
STING1 Q86WV6 2/20 0.38

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
SCHEMBL3155227 1.00 SSTR5 (0.46) SSTR5KMT2AGRK2CTDSP1HSD11B1
SCHEMBL3155412 0.84 KMT2A (0.56) SSTR5KMT2AGRK2CTDSP1HSD11B1
SCHEMBL2250089 0.84 KMT2A (0.56) SSTR5KMT2AGRK2CTDSP1HSD11B1
SCHEMBL2250087 0.84 KMT2A (0.56) SSTR5KMT2AGRK2CTDSP1HSD11B1
SCHEMBL2254545 0.82 SSTR5 (0.44) SSTR5KMT2AGRK2CTDSP1POLB
SCHEMBL3150858 0.81 SSTR5 (0.46) SSTR5KMT2AGRK2CTDSP1POLB
SCHEMBL3139938 0.81 SSTR5 (0.46) SSTR5KMT2AGRK2CTDSP1POLB
SCHEMBL2255259 0.80 ALDH1A1 (0.47) SSTR5KMT2AGRK2CTDSP1HSD11B1
SCHEMBL2255261 0.80 ALDH1A1 (0.47) SSTR5KMT2AGRK2CTDSP1HSD11B1
SCHEMBL3737534 0.80 NPY5R (0.48) SSTR5HSD11B1ADRA1ASIGMAR1

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-2066678-B1 SPIRO ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-02-10 EP disclosed
EP-2066678-A1 SPIRO ANTIBIOTIC DERIVATIVES Actelion Pharmaceuticals Ltd. (CH) 2009-06-10 EP disclosed
WO-2008026172-A1 SPIRO ANTIBIOTIC DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2008-03-06 WO disclosed