SCHEMBL7025655

SCHEMBL7025655

COc1ccc2occ(CCCNC(C)=O)c2c1

nearest known ligand 0.86

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.86
MTNR1B P49286 7/20 0.86
NQO2 P16083 2/20 0.86
HTR2C P28335 1/20 0.67

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
SCHEMBL7018941 0.93 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL5337441 0.84 MTNR1A (0.60) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL7023127 0.83 MTNR1A (0.61) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL7016566 0.83 MTNR1A (0.91) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL5336532 0.82 MTNR1A (0.59) MTNR1AMTNR1BNQO2
SCHEMBL5336402 0.82 MTNR1A (0.59) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL8006826 0.81 MTNR1A (0.64) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL8690384 0.81 MTNR1A (0.64) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL17785106 0.81 MTNR1A (0.70) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL9122748 0.80 MTNR1A (1.00) 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