SCHEMBL7027043

SCHEMBL7027043

CC(=O)NCC1COc2ccc(OS(=O)(=O)C(F)(F)F)cc2C1

nearest known ligand 0.72

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 6/20 0.72
ALOX5 P09917 1/20 0.43
TP53 P04637 2/20 0.40
HSD11B1 P28845 1/20 0.40
DRD2 P14416 1/20 0.40
HTR1D P28221 1/20 0.40
DRD3 P35462 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
RORC P51449 2/20 0.39
LMNA P02545 1/20 0.37

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 0.84 MTNR1A (1.00) MTNR1ATP53LMNA
SCHEMBL7822666 0.81 MTNR1A (0.77) MTNR1AALOX5TP53TRPV1LMNA
SCHEMBL5344278 0.78 MTNR1A (0.72) MTNR1AALOX5DRD3TRPV1
SCHEMBL5346165 0.77 MTNR1A (0.70) MTNR1AALOX5TP53TRPV1
SCHEMBL5346519 0.77 MTNR1A (0.70) MTNR1ATRPV1LMNA
SCHEMBL5334595 0.77 MTNR1A (0.70) MTNR1AALOX5TP53TRPV1
SCHEMBL6076652 0.77 MTNR1A (0.70) MTNR1AALOX5TRPV1
SCHEMBL5336254 0.75 MTNR1A (0.70) MTNR1ATP53TRPV1RORC
SCHEMBL19658437 0.74 MTNR1A (0.65) MTNR1ATP53
SCHEMBL5228871 0.73 MTNR1A (1.00) MTNR1ATP53LMNA

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-1057826-B1 Substituted dimeric carboxamide derivatives, method for preparing them, and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-04-16 EP disclosed
US-6310074-B1 TREATING MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-10-30 US disclosed
EP-1057826-A1 Substituted dimeric carboxamide derivatives, method for preparing them, and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-12-06 EP disclosed