SCHEMBL8169394

SCHEMBL8169394

O=C(NCCc1cc2c3c(ccc2[nH]1)OCCC3)C1CC1

nearest known ligand 0.44

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 11/20 0.44
MTNR1B P49286 10/20 0.44
SPR P35270 1/20 0.42
ALDH1A1 P00352 1/20 0.39

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
SCHEMBL8169503 0.97 MTNR1A (0.47) MTNR1AMTNR1BSPR
SCHEMBL7836978 0.86 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL7824776 0.86 MTNR1A (0.53) MTNR1AMTNR1B
SCHEMBL8169370 0.77 HTR2A (0.60) MTNR1AMTNR1BSPRALDH1A1
SCHEMBL7808180 0.77 HTR2C (0.55) ALDH1A1
SCHEMBL8169504 0.74 HTR2A (0.59) MTNR1AMTNR1BSPRALDH1A1
SCHEMBL8169871 0.72 MTNR1A (0.75) MTNR1AMTNR1B
SCHEMBL8161912 0.71 MTNR1A (0.50) MTNR1AMTNR1BSPR
SCHEMBL8162966 0.69 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL8162108 0.68 MTNR1A (0.54) 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