SCHEMBL7355294

SCHEMBL7355294

COc1cccc(CC(=O)NCCCCCC(=O)O)c1

nearest known ligand 0.66

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.58
MTNR1B P49286 2/20 0.58
ATM Q13315 1/20 0.58
EPHX2 P34913 2/20 0.56
CA1 P00915 1/20 0.56
CA2 P00918 1/20 0.56
HDAC1 Q13547 1/20 0.55
HDAC6 Q9UBN7 1/20 0.55
ALDH1A1 P00352 1/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52

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
SCHEMBL3208574 0.90 CA1 (0.60) MTNR1AMTNR1BCA1CA2ALDH1A1
SCHEMBL27707700 0.87 EPHX2 (0.65) MTNR1AMTNR1BEPHX2CA1CA2
SCHEMBL7365037 0.87 ATM (0.52) ATMSMN1; SMN2
SCHEMBL9654129 0.86 PTGS1 (0.60) MTNR1AMTNR1BATMHDAC1HDAC6
Methane SCHEMBL9655846 0.85 PTGS1 (0.59) MTNR1AMTNR1BATMHDAC1HDAC6
Methane SCHEMBL10588144 0.85 PTGS1 (0.59) MTNR1AMTNR1BATMHDAC1HDAC6
SCHEMBL7598913 0.84 ATM (0.60) ATMHDAC1ALDH1A1HTT
Methane SCHEMBL9654134 0.84 PTGS1 (0.60) MTNR1AMTNR1BATMHDAC1HDAC6
SCHEMBL7294657 0.84 HDAC1 (0.63) MTNR1AMTNR1BEPHX2HDAC1HDAC6
SCHEMBL11654998 0.81 CA1 (0.77) MTNR1AMTNR1BCA1CA2ALDH1A1

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-0781268-B1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON SPA (IT) 1999-04-07 EP disclosed
EP-0781268-A1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1997-07-02 EP disclosed
WO-1996008463-A1 DERIVATIVES OF 2-AMINO-1,2,3,4-TETRAHYDRONAPHTHALENE ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.P.A. (IT) 1996-03-21 WO disclosed