SCHEMBL8168656

SCHEMBL8168656

O=C(NCCc1csc2ccc3c(c12)CCCO3)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 12/20 0.52
MTNR1B P49286 9/20 0.49
HTR1A P08908 3/20 0.35
HTR1D P28221 3/20 0.35
HTR2A P28223 3/20 0.35
HTR2C P28335 3/20 0.35
HTR2B P41595 2/20 0.35
NPC1 O15118 1/20 0.33
PAX8 Q06710 1/20 0.33
KLF5 Q13887 1/20 0.33

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
SCHEMBL8168593 0.87 MTNR1A (0.65) MTNR1AMTNR1B
SCHEMBL8169874 0.85 MTNR1A (0.52) MTNR1AMTNR1BHTR1AHTR1DHTR2A
SCHEMBL8168177 0.85 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL8161912 0.84 MTNR1A (0.50) MTNR1AMTNR1B
SCHEMBL8162108 0.83 MTNR1A (0.54) MTNR1AMTNR1B
SCHEMBL8170080 0.81 MTNR1A (0.78) MTNR1AMTNR1BHTR1AHTR1DHTR2A
SCHEMBL8168310 0.77 HTR2C (0.57) MTNR1AMTNR1BHTR1AHTR1DHTR2A
SCHEMBL7797256 0.68 MTNR1A (1.00) MTNR1AMTNR1BHTR2C
SCHEMBL8162670 0.68 MTNR1A (0.75) MTNR1AMTNR1BHTR1AHTR1DHTR2A
SCHEMBL6075828 0.68 MTNR1A (0.55) 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 disclosed
US-5998461-A SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1999-12-07 US disclosed