SCHEMBL8062980

SCHEMBL8062980

COc1ccc(OCC[CH]O)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.50
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
CA12 O43570 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
CA14 Q9ULX7 1/20 0.46
APP P05067 2/20 0.46
DRD2 P14416 1/20 0.44
DRD4 P21917 1/20 0.44
DRD3 P35462 1/20 0.44
CHRNB4 P30926 1/20 0.44
CHRNA3 P32297 1/20 0.44
CHRNA7 P36544 1/20 0.44
SMN1; SMN2 Q16637 3/20 0.43
MAOB P27338 1/20 0.43
AOC3 Q16853 1/20 0.43
KCNH2 Q12809 1/20 0.43

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
SCHEMBL1343630 0.79 CA12 (0.65) MAPTMTNR1AMTNR1BCA12CA1
SCHEMBL24425881 0.79 ALDH1A1 (0.53) MAPTMTNR1AMTNR1BCA12CA1
SCHEMBL7928344 0.79 MAPT (0.50) MAPTMTNR1AMTNR1BCA12CA1
SCHEMBL17024115 0.79 SMN1; SMN2 (0.51) APPSMN1; SMN2MAOBAOC3NPC1
SCHEMBL645945 0.78 KCNA3 (0.58) MTNR1AMTNR1BDRD2DRD4DRD3
SCHEMBL8434882 0.77 CA12 (0.61) MAPTMTNR1AMTNR1BCA12CA1
SCHEMBL9808262 0.77 MAPT (0.62) MAPTMTNR1AMTNR1BCA12CA1
SCHEMBL77535 0.76 ALDH1A1 (0.60) MAPTMTNR1AMTNR1BCA12CA1
SCHEMBL14984020 0.75 MAPT (0.60) MAPTMTNR1AMTNR1BCA12CA1
SCHEMBL30514009 0.75 MAPT (0.60) MAPTMTNR1AMTNR1BCA12CA1

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-0730861-B1 Use of 6,7-substituted-2-aminotetralines for preparing pharmaceutical compositions useful for the treatment of septic shock, and antipyretic and antiinflammatory pharmaceutical compositions SIGMA TAU IND FARMACEUTI (IT) 2000-08-02 EP disclosed
US-5591777-A Use of 6,7-substituted-2-aminotetralines for preparing pharmaceutical compositions useful for the treatment of septic shock, and antipyretic and antiinflammatory pharmaceutical compositions SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 1997-01-07 US disclosed
EP-0730861-A1 Use of 6,7-substituted-2-aminotetralines for preparing pharmaceutical compositions useful for the treatment of septic shock, and antipyretic and antiinflammatory pharmaceutical compositions Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 1996-09-11 EP disclosed