SCHEMBL7024587

SCHEMBL7024587

CC(C)C(=O)NCCc1csc2ccc(OS(=O)(=O)C(F)(F)F)cc12

nearest known ligand 0.55

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.55
MTNR1B P49286 10/20 0.55
NQO2 P16083 1/20 0.47
CXCR2 P25025 1/20 0.40
HTR1A P08908 2/20 0.39
HTR1D P28221 2/20 0.39
HTR1B P28222 2/20 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
SCHEMBL7019670 0.89 MTNR1A (0.70) MTNR1AMTNR1B
SCHEMBL7018441 0.84 MTNR1A (0.71) MTNR1AMTNR1B
SCHEMBL7021129 0.83 MTNR1A (0.78) MTNR1AMTNR1BNQO2
SCHEMBL7014496 0.82 MTNR1A (0.49) MTNR1AMTNR1BHTR1AHTR1DHTR1B
SCHEMBL7021360 0.81 NQO2 (0.52) MTNR1AMTNR1BNQO2
SCHEMBL7017862 0.79 MTNR1A (0.59) MTNR1AMTNR1BNQO2
SCHEMBL7025435 0.77 SPR (0.58) MTNR1AMTNR1BNQO2
SCHEMBL9121553 0.75 MTNR1A (0.74) MTNR1AMTNR1BNQO2
SCHEMBL7024468 0.75 MTNR1A (0.46) MTNR1AMTNR1B
SCHEMBL14521480 0.73 IDO1 (0.61) MTNR1AMTNR1B

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