SCHEMBL7822666

SCHEMBL7822666

CC(=O)NCC1COc2ccc(OC(N)=O)cc2C1

nearest known ligand 0.77

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 9/20 0.77
ALOX5 P09917 1/20 0.47
TP53 P04637 3/20 0.42
TRPV1 Q8NER1 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
LMNA P02545 1/20 0.39
MTNR1B P49286 3/20 0.39
POLB P06746 1/20 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
SCHEMBL5261920 0.87 MTNR1A (1.00) MTNR1ATP53LMNAMTNR1BPOLB
SCHEMBL5346165 0.82 MTNR1A (0.70) MTNR1AALOX5TP53TRPV1ITGB3
SCHEMBL7027043 0.81 MTNR1A (0.72) MTNR1AALOX5TP53TRPV1LMNA
SCHEMBL5344278 0.81 MTNR1A (0.72) MTNR1AALOX5TRPV1ITGB3ITGA2B
SCHEMBL6076652 0.80 MTNR1A (0.70) MTNR1AALOX5TRPV1ITGB3ITGA2B
SCHEMBL5334595 0.80 MTNR1A (0.70) MTNR1AALOX5TP53TRPV1ITGB3
SCHEMBL5346519 0.80 MTNR1A (0.70) MTNR1ATRPV1LMNAMTNR1BPOLB
SCHEMBL5336254 0.77 MTNR1A (0.70) MTNR1ATP53TRPV1ITGB3ITGA2B
SCHEMBL19658437 0.76 MTNR1A (0.65) MTNR1ATP53MTNR1B
SCHEMBL5228871 0.76 MTNR1A (1.00) MTNR1ATP53LMNAMTNR1BPOLB

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
EP-1077928-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 2001-02-28 EP claimed
WO-1999058496-A1 NOVEL SUBSTITUTED CYCLIC COMPOUNDS, PREPARATION METHOD AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ADIR ET COMPAGNIE (FR) 1999-11-18 WO claimed