SCHEMBL8169388

SCHEMBL8169388

CCCCNC(=O)NCCc1coc2ccc3c(c12)CCCO3

nearest known ligand 0.76

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 0.76
MTNR1B P49286 9/20 0.50
HPGD P15428 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
HTR2C P28335 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HTT P42858 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
SCHEMBL8173300 0.94 MTNR1A (0.78) MTNR1AMTNR1BHPGDCYP1A2CYP3A4
SCHEMBL8164780 0.91 MTNR1A (0.70) MTNR1AMTNR1BHPGDCYP1A2CYP3A4
SCHEMBL8164776 0.89 MTNR1A (0.62) MTNR1AMTNR1BHPGDCYP1A2CYP3A4
SCHEMBL8169118 0.89 MTNR1A (0.80) MTNR1AMTNR1BHTR2C
SCHEMBL8169375 0.87 MTNR1A (0.77) MTNR1AMTNR1BHTR2C
SCHEMBL8162658 0.86 MTNR1A (0.80) MTNR1AMTNR1BHTR2C
SCHEMBL7797256 0.86 MTNR1A (1.00) MTNR1AMTNR1BHTR2C
SCHEMBL8168555 0.84 MTNR1A (0.73) MTNR1AMTNR1BHTR2C
SCHEMBL8170080 0.83 MTNR1A (0.78) MTNR1AMTNR1BHTR2C
SCHEMBL8169275 0.83 MTNR1A (0.71) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6071946-A FOR TREATING DISORDERS OF THE MELATONINERGIC SYSTEM, SLEEP DISORDERS, CIRCADIAN RHYTHM DISORDERS ADIR ET COMPAGNIE (FR) 2000-06-06 US claimed
US-6071946-A FOR TREATING DISORDERS OF THE MELATONINERGIC SYSTEM, SLEEP DISORDERS, CIRCADIAN RHYTHM DISORDERS ADIR ET COMPAGNIE (FR) 2000-06-06 US disclosed