SCHEMBL8134992

SCHEMBL8134992

COc1cnc2c(c1)c(CCNC(C)=O)cn2C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 1.00
MTNR1B P49286 15/20 0.64
NQO2 P16083 1/20 0.64
ROCK1 Q13464 1/20 0.48
HTR2C P28335 1/20 0.48
HTR2B P41595 1/20 0.48
HDAC3 O15379 1/20 0.48
HDAC6 Q9UBN7 1/20 0.48

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
SCHEMBL8143092 0.89 MTNR1A (0.81) MTNR1AMTNR1BNQO2
SCHEMBL8137636 0.88 MTNR1A (0.79) MTNR1AMTNR1BNQO2
SCHEMBL8137642 0.87 MTNR1A (0.78) MTNR1AMTNR1BNQO2
SCHEMBL8152799 0.87 MTNR1A (0.78) MTNR1AMTNR1BNQO2
SCHEMBL8152291 0.87 MTNR1A (0.78) MTNR1AMTNR1BNQO2
SCHEMBL8136431 0.87 MTNR1A (0.78) MTNR1AMTNR1BNQO2
SCHEMBL8134907 0.86 MTNR1A (0.76) MTNR1AMTNR1BNQO2
SCHEMBL8150330 0.85 MTNR1A (0.74) MTNR1AMTNR1BNQO2
SCHEMBL8128204 0.85 MTNR1A (0.74) MTNR1AMTNR1BNQO2ROCK1HTR2C
SCHEMBL7017774 0.85 MTNR1A (0.74) MTNR1AMTNR1BNQO2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0737685-B1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-07-19 EP claimed
EP-0737685-B1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 2000-07-19 EP disclosed
US-5714495-A ANXIOLYTIC AGENTS, MELATONIN RECEPTORS FOR TREATING PSYCHOLOGICAL DISORDERS AND ANALGESICS, SLEEP DISORDERS ADIR ET COMPAGNIE (FR) 1998-02-03 US disclosed
EP-0737685-A1 Pyridine derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-10-16 EP disclosed