SCHEMBL2905181

SCHEMBL2905181

O=CC1CCC(Cc2cc3ccccc3o2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2A P08913 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
AGXT P21549 1/20 0.42
CYP2A6 P11509 1/20 0.41
HTR2B P41595 3/20 0.40
HTR1A P08908 1/20 0.40
PREP P48147 1/20 0.38
ESR1 P03372 1/20 0.36
ESR2 Q92731 1/20 0.36
CA2 P00918 1/20 0.36
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
CNR1 P21554 1/20 0.36
CNR2 P34972 1/20 0.36
CYP19A1 P11511 1/20 0.36
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
HCRTR1 O43613 1/20 0.35
HCRTR2 O43614 1/20 0.35
ADAM10 O14672 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
SCHEMBL7791747 0.88 LOXL2 (0.56) ADRA2ALOXL2AGXTHTR2BHTR1A
SCHEMBL10366180 0.80 LOXL2 (0.51) ADRA2ALOXL2AGXTHTR2BHTR1A
SCHEMBL31304968 0.80 LOXL2 (0.51) ADRA2ALOXL2AGXTHTR2BHTR1A
SCHEMBL2906664 0.79 VCP (0.45) ADRA2ALOXL2AGXTHTR2BHTR1A
SCHEMBL979289 0.75 ACHE (0.60) CYP2A6BCHEACHESLC6A2SLC6A4
SCHEMBL18528970 0.72 LOXL2 (0.53) ADRA2ALOXL2AGXTHTR2BHTR1A
SCHEMBL28732114 0.70 GBA1 (0.53)
SCHEMBL112634 0.70 LOXL2 (0.58) ADRA2ALOXL2AGXTCYP2A6HTR2B
SCHEMBL14045098 0.68 LOXL2 (0.51) LOXL2AGXTCYP2A6HTR2BHTR1A
SCHEMBL1256835 0.68 ADRA2A (0.58) ADRA2ALOXL2AGXTBCHEACHE

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-2217566-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 AstraZeneca AB (SE) 2010-08-18 EP disclosed
WO-2009064250-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 065 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed
WO-2009064251-A1 BIS-(SULFONYLAMINO) DERIVATIVES IN THERAPY 066 ASTRAZENECA AB (SE) 2009-05-22 WO disclosed