SCHEMBL7019162

SCHEMBL7019162

CC(C)C(=O)NCCc1coc2ccc(O)cc12

nearest known ligand 0.67

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.67
MTNR1B P49286 5/20 0.67
NQO2 P16083 4/20 0.67
SPR P35270 1/20 0.58

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
SCHEMBL5343419 0.86 MTNR1A (0.70) MTNR1AMTNR1BNQO2SPR
SCHEMBL7099888 0.83 MTNR1A (0.72) MTNR1AMTNR1BNQO2
SCHEMBL5340374 0.81 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL6214122 0.81 MTNR1A (0.67) MTNR1AMTNR1BNQO2
SCHEMBL5341366 0.80 MTNR1A (0.71) MTNR1AMTNR1BNQO2SPR
SCHEMBL5338799 0.80 NQO2 (0.67) MTNR1AMTNR1BNQO2
SCHEMBL5337441 0.79 MTNR1A (0.60) MTNR1AMTNR1BNQO2SPR
SCHEMBL3814109 0.78 MTNR1A (0.68) MTNR1AMTNR1B
SCHEMBL7099796 0.78 MTNR1A (0.51) MTNR1AMTNR1BNQO2
SCHEMBL5341459 0.78 NQO2 (0.74) MTNR1AMTNR1BNQO2

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