SCHEMBL8169111

SCHEMBL8169111

CC(=O)NCCc1coc2ccc(OCC#N)cc12

nearest known ligand 0.80

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.80
MTNR1B P49286 5/20 0.71
NQO2 P16083 3/20 0.71
HTR2C P28335 1/20 0.56

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
SCHEMBL7016566 0.86 MTNR1A (0.91) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL8169207 0.84 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL7018941 0.83 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL7019235 0.79 MTNR1A (0.94) MTNR1AMTNR1BNQO2
SCHEMBL6217496 0.78 MTNR1A (0.72) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL7014411 0.78 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL29032194 0.78 MTNR1A (0.53) MTNR1AMTNR1BHTR2C
SCHEMBL29032211 0.78 MTNR1A (0.59) MTNR1AMTNR1BHTR2C
SCHEMBL5346051 0.77 MTNR1A (0.74) MTNR1AMTNR1BNQO2
SCHEMBL5344150 0.77 NQO2 (0.72) MTNR1AMTNR1BNQO2HTR2C

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