SCHEMBL8169207

SCHEMBL8169207

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

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 16/20 1.00
MTNR1B P49286 4/20 0.74
NQO2 P16083 3/20 0.74
TSHR P16473 1/20 0.61
HTR2C P28335 1/20 0.58

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 0.88 MTNR1A (0.91) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL7018941 0.85 MTNR1A (1.00) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL8169111 0.84 MTNR1A (0.80) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL6217496 0.82 MTNR1A (0.72) MTNR1AMTNR1BNQO2TSHRHTR2C
SCHEMBL5346051 0.81 MTNR1A (0.74) MTNR1AMTNR1BNQO2TSHR
SCHEMBL7022717 0.81 MTNR1A (0.70) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL7019235 0.81 MTNR1A (0.94) MTNR1AMTNR1BNQO2
SCHEMBL7014411 0.80 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL5337710 0.79 MTNR1B (0.79) MTNR1AMTNR1BNQO2
SCHEMBL5344150 0.79 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