SCHEMBL8036686

SCHEMBL8036686

COc1ccc2c(c1)CC(CCN)O2

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.60
GABRA1 P14867 1/20 0.45
GABRB2 P47870 1/20 0.45
MTNR1A P48039 4/20 0.43
LMNA P02545 1/20 0.41
TP53 P04637 1/20 0.41
GLS O94925 1/20 0.40
DRD2 P14416 1/20 0.40
DRD3 P35462 1/20 0.40
ABCB1 P08183 1/20 0.40
AR P10275 1/20 0.40
ABCG2 Q9UNQ0 1/20 0.40
FFAR1 O14842 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39

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
SCHEMBL9117533 0.88 HRH3 (0.63) HRH3GABRA1GABRB2MTNR1ALMNA
Methylamine SCHEMBL10700886 0.87 HRH3 (0.59) HRH3GABRA1GABRB2MTNR1AGLS
SCHEMBL5505186 0.81 HRH3 (0.55) HRH3GABRA1GABRB2DRD2DRD3
SCHEMBL13802286 0.81 FFAR1 (0.56) HRH3GABRA1GABRB2MTNR1AGLS
SCHEMBL17761389 0.79 HRH3 (0.56) HRH3GABRA1GABRB2MTNR1ALMNA
SCHEMBL8026316 0.78 HRH3 (0.38) HRH3LMNAFFAR1FFAR4KDM4E
SCHEMBL10256487 0.78 HRH3 (0.59) HRH3GABRA1GABRB2MTNR1ALMNA
SCHEMBL9628115 0.77 HRH3 (0.57) HRH3GABRA1GABRB2MTNR1ALMNA
SCHEMBL8036693 0.77 FFAR1 (0.52) HRH3MTNR1ADRD2DRD3FFAR1
SCHEMBL8038096 0.77 CA2 (0.38) HRH3GLSFFAR1FFAR4HTR2A

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-2000076990-A1 NEW COMPOUNDS ASTRAZENECA AB (SE) 2000-12-21 WO disclosed