SCHEMBL7367526

SCHEMBL7367526

COc1ccccc1N1CCN(C(=O)CCCCC(=O)O)CC1

nearest known ligand 0.73

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.67
TSHR P16473 2/20 0.65
DRD2 P14416 3/20 0.65
HTR1A P08908 2/20 0.65
HTR7 P34969 1/20 0.65
ALDH1A1 P00352 2/20 0.65
RAB9A P51151 1/20 0.65
PKM P14618 1/20 0.60
KDM4E B2RXH2 1/20 0.60
TDP1 Q9NUW8 1/20 0.60
MEN1 O00255 1/20 0.60
LMNA P02545 1/20 0.60
KMT2A Q03164 1/20 0.60
HTR2A P28223 1/20 0.59
POLB P06746 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
TP53 P04637 1/20 0.58

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
SCHEMBL31207179 0.97 L3MBTL1 (0.67) L3MBTL1TSHRDRD2HTR1AHTR7
SCHEMBL7672873 0.89 L3MBTL1 (0.65) L3MBTL1TSHRDRD2HTR1AHTR7
SCHEMBL28523079 0.89 HTR1A (0.67) L3MBTL1TSHRDRD2HTR1AHTR7
SCHEMBL28907245 0.89 HTR1A (0.67) L3MBTL1TSHRDRD2HTR1AHTR7
SCHEMBL7692830 0.88 L3MBTL1 (0.68) L3MBTL1TSHRDRD2HTR1AHTR7
SCHEMBL1374039 0.88 HTR1A (0.65) L3MBTL1TSHRDRD2HTR1AHTR7
SCHEMBL7666917 0.88 HTR1A (0.65) L3MBTL1TSHRDRD2HTR1AHTR7
SCHEMBL1377880 0.85 HTR1A (0.63) L3MBTL1TSHRDRD2HTR1AHTR7
SCHEMBL8722757 0.84 DRD2 (0.65) L3MBTL1TSHRDRD2HTR1AHTR7
SCHEMBL28972660 0.84 L3MBTL1 (0.70) L3MBTL1TSHRHTR7ALDH1A1RAB9A

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-0781126-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 2001-12-12 EP disclosed
EP-0781126-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1997-07-02 EP disclosed
WO-1996008228-A2 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRO-NAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1996-03-21 WO disclosed