SCHEMBL8169504

SCHEMBL8169504

O=C(NCCc1c[nH]c2ccc3c(c12)CCCO3)C1CCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 5/20 0.59
HTR2C P28335 5/20 0.59
HTR2B P41595 5/20 0.59
HTR1A P08908 4/20 0.59
HTR1D P28221 3/20 0.59
MTNR1A P48039 5/20 0.54
PARP1 P09874 5/20 0.54
HTR6 P50406 2/20 0.51
HTR4 Q13639 2/20 0.51
ADRA2A P08913 1/20 0.51
ADRA2C P18825 1/20 0.51
HTR1B P28222 1/20 0.51
HTR7 P34969 1/20 0.51
SPR P35270 1/20 0.48
MTNR1B P49286 2/20 0.48
ALDH1A1 P00352 1/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43

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
SCHEMBL8169370 0.97 HTR2A (0.60) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL4688022 0.85 MTNR1A (0.65) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL8397290 0.83 HTR2A (0.61) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL1567786 0.83 HTR2A (0.61) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL1567072 0.82 HTR2A (0.59) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL8162966 0.80 MTNR1A (0.74) MTNR1AMTNR1BKDM4E
SCHEMBL7000777 0.80 HTR2A (0.73) HTR2AHTR2CHTR2BHTR1AHTR1D
SCHEMBL8162108 0.80 MTNR1A (0.54) MTNR1AMTNR1BKDM4E
SCHEMBL8169503 0.78 MTNR1A (0.47) MTNR1ASPRMTNR1BKDM4E
SCHEMBL31105674 0.77 HTR2A (0.68) HTR2AHTR2CHTR2BHTR1AHTR1D

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