SCHEMBL8409684

SCHEMBL8409684

COc1cc2ccccc2c2c1CC(C(=O)O)CC2

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.57
ALDH1A1 P00352 6/20 0.46
MAPT P10636 2/20 0.46
NPSR1 Q6W5P4 1/20 0.46
KDM4E B2RXH2 3/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
RCE1 Q9Y256 1/20 0.44
KMT2A Q03164 2/20 0.42
HPGD P15428 3/20 0.41
ALOX15 P16050 1/20 0.41
HSD17B10 Q99714 2/20 0.40
TP53 P04637 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPY5R Q15761 1/20 0.40
EPHX2 P34913 1/20 0.39
MEN1 O00255 1/20 0.39
ALOX12 P18054 1/20 0.39
AKR1C3 P42330 2/20 0.39
AKR1C2 P52895 2/20 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
SCHEMBL8409643 0.80 MTNR1A (0.61) CYP1A2ALDH1A1MAPTNPSR1ALOX15
SCHEMBL8410102 0.79 MTNR1A (0.59) ALDH1A1MAPTNPSR1
SCHEMBL15910983 0.79 CYP1A2 (0.81) CYP1A2GAAKMT2AEPHX2AKR1C3
SCHEMBL8406932 0.79 ADRA1A (0.60) ALDH1A1MAPTNPSR1DPP4
SCHEMBL8409922 0.79 CYP1A2 (0.47) CYP1A2ALDH1A1MAPTNPSR1KDM4E
SCHEMBL8406881 0.79 ALDH1A1 (0.57) CYP1A2ALDH1A1MAPTNPSR1KDM4E
SCHEMBL8409866 0.78 MTNR1A (0.56) CYP1A2ALDH1A1MAPTNPSR1KMT2A
SCHEMBL8409835 0.76 MTNR1A (0.61) CYP1A2MAPTALOX15
SCHEMBL8410162 0.76 MTNR1A (0.44) CYP1A2ALDH1A1MAPTNPSR1ALOX15
SCHEMBL8409648 0.74 MTNR1A (0.59) ALDH1A1MAPTNPSR1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0737670-B1 Tricyclic amides, processes for their preparation, and pharmaceutical compositions containing them ADIR (FR) 1999-07-21 EP disclosed
US-5849781-A Tricyclic amides ADIR ET COMPAGNIE (FR) 1998-12-15 US disclosed
US-5712312-A MELATONINERGIC RECEPTOR LIGANDS, TREATMENT OF SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1998-01-27 US disclosed
EP-0737670-A1 Tricyclic amides, processes for their preparation, and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-10-16 EP disclosed