SCHEMBL8400893

SCHEMBL8400893

CC(=O)N(C)CCc1coc2ccc3c(c12)CCCO3

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.68
HTR2C P28335 12/20 0.47
HTR1D P28221 7/20 0.47
HTR1A P08908 7/20 0.47
HTR2A P28223 7/20 0.47
HTR2B P41595 7/20 0.47
MTNR1B P49286 6/20 0.43
HTR6 P50406 2/20 0.35
HTR4 Q13639 2/20 0.35
ADRA2A P08913 1/20 0.35
ADRA2C P18825 1/20 0.35
HTR1B P28222 1/20 0.35
HTR7 P34969 1/20 0.35

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
SCHEMBL7797256 0.81 MTNR1A (1.00) MTNR1AHTR2CMTNR1B
SCHEMBL8169091 0.77 MTNR1A (0.63) MTNR1AHTR2CHTR1DHTR1AHTR2A
SCHEMBL8169118 0.77 MTNR1A (0.80) MTNR1AHTR2CHTR1DHTR1AHTR2A
SCHEMBL8162658 0.77 MTNR1A (0.80) MTNR1AHTR2CMTNR1B
SCHEMBL8173300 0.76 MTNR1A (0.78) MTNR1AHTR2CHTR1DHTR1AHTR2A
Hydrochloric Acid SCHEMBL8169452 0.76 MTNR1A (0.62) MTNR1AHTR2CHTR1DHTR1AHTR2A
SCHEMBL8170080 0.76 MTNR1A (0.78) MTNR1AHTR2CHTR1DHTR1AHTR2A
SCHEMBL8169375 0.75 MTNR1A (0.77) MTNR1AHTR2CHTR1DHTR1AHTR2A
SCHEMBL8175008 0.75 MTNR1A (0.77) MTNR1AHTR2CHTR1DHTR1AHTR2A
SCHEMBL8401104 0.74 MTNR1A (0.76) MTNR1AHTR2CHTR1DHTR1AHTR2A

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-5998461-A SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1999-12-07 US claimed
US-5998461-A SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1999-12-07 US disclosed