SCHEMBL7017975

SCHEMBL7017975

CC(=O)NCCC1=COc2ccc(OS(=O)(=O)C(F)(F)F)cc2O1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.57
HSD11B1 P28845 1/20 0.40
MTNR1B P49286 7/20 0.39
NQO2 P16083 1/20 0.39
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.36

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
SCHEMBL7017973 0.75 CXCR2 (0.39) HSD11B1
SCHEMBL7022717 0.75 MTNR1A (0.70) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL7013756 0.75 ENPP3 (0.39) MTNR1AMTNR1BSMN1; SMN2
SCHEMBL7203743 0.74 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL3949444 0.73 MTNR1A (0.71) MTNR1AMTNR1BNQO2HTR2CHTR2B
SCHEMBL7201899 0.71 MTNR1A (0.56) MTNR1AMTNR1BNQO2HTR2CHTR2B
SCHEMBL7019670 0.71 MTNR1A (0.70) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL7024310 0.71 MTNR1A (0.70) MTNR1AMTNR1BNQO2HTR2B
SCHEMBL8054353 0.69 MTNR1A (0.75) MTNR1AMTNR1BHTR2CHTR2B
SCHEMBL7023127 0.69 MTNR1A (0.61) MTNR1AMTNR1BNQO2HTR2C

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