SCHEMBL8668930

SCHEMBL8668930

COc1ccc2[nH]ccc2c1CC(NC(C)=O)C(=O)O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.60
MTNR1B P49286 1/20 0.60
KMT2A Q03164 3/20 0.42
MEN1 O00255 1/20 0.42
TNF P01375 1/20 0.42
ALOX15 P16050 2/20 0.41
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
ACE P12821 3/20 0.38
FPR2 P25090 1/20 0.38
ITGB2 P05107 2/20 0.38
ICAM1 P05362 2/20 0.38
ITGAL P20701 2/20 0.38
EGFR P00533 1/20 0.38
SRC P12931 1/20 0.38
TACR1 P25103 1/20 0.38

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
SCHEMBL8674201 0.83 TNF (0.43) MTNR1AMTNR1BTNFALOX15ACE
SCHEMBL8670193 0.83 MTNR1A (0.42) MTNR1AMTNR1BTNFALOX15ACE
SCHEMBL8669828 0.78 KMT2A (0.49) MTNR1AMTNR1BKMT2AMEN1ALOX15
SCHEMBL8670242 0.77 CYP1A1 (0.40) KMT2AMEN1TNFALOX15ALDH1A1
SCHEMBL8668912 0.76 ALOX15 (0.39) MTNR1AMTNR1BKMT2AMEN1TNF
SCHEMBL8673938 0.76 MTNR1A (0.52) MTNR1AMTNR1BKMT2AMEN1ALOX15
SCHEMBL8671978 0.76 ALOX15 (0.57) KMT2AMEN1TNFALOX15MAPT
SCHEMBL8984805 0.75 MTNR1A (1.00) MTNR1AMTNR1BKMT2AMEN1ALDH1A1
SCHEMBL19766759 0.73 ITGB2 (0.61) MTNR1AMTNR1BKMT2AMEN1ALOX15
SCHEMBL19766756 0.73 ITGB2 (0.61) MTNR1AMTNR1BKMT2AMEN1ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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