SCHEMBL8650255

SCHEMBL8650255

CCOC(=O)N1CCN(C2CCc3ccc(OC)cc32)CC1

nearest known ligand 0.78

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MTNR1B P49286 12/20 0.78
MTNR1A P48039 5/20 0.73
NOS3 P29474 1/20 0.49
NOS1 P29475 1/20 0.49
NOS2 P35228 1/20 0.49
ALDH1A1 P00352 2/20 0.48
LMNA P02545 1/20 0.48
HPGD P15428 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47

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
SCHEMBL8650941 0.87 MTNR1B (1.00) MTNR1BMTNR1A
SCHEMBL5871334 0.86 MTNR1B (1.00) MTNR1BMTNR1A
SCHEMBL8649877 0.85 MTNR1B (1.00) MTNR1BMTNR1A
SCHEMBL8649810 0.85 MTNR1B (0.80) MTNR1BMTNR1A
SCHEMBL8651045 0.84 MTNR1B (1.00) MTNR1BMTNR1A
SCHEMBL8653603 0.84 MTNR1B (0.81) MTNR1BMTNR1A
SCHEMBL8654327 0.84 MTNR1B (0.81) MTNR1BMTNR1AALDH1A1LMNA
SCHEMBL8652117 0.84 MTNR1B (1.00) MTNR1BMTNR1ALMNA
SCHEMBL8651031 0.84 MTNR1B (0.80) MTNR1BMTNR1A
SCHEMBL8654454 0.84 MTNR1B (0.73) MTNR1BMTNR1A

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-5780470-A TREATING SLEEP DISORDERS AND DEPRESSION BRISTOL-MYERS SQUIBB COMPANY (US) 1998-07-14 US disclosed
EP-0745597-A2 Novel melatonergic indanyl piperazines or homopiperazines BRISTOL-MYERS SQUIBB COMPANY (US) 1996-12-04 EP disclosed