SCHEMBL6588528

SCHEMBL6588528

CC(C)(C)OC(=O)NC1CCN(c2cccc3c2OCCO3)C1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.55
PIM3 Q86V86 1/20 0.55
PIM2 Q9P1W9 1/20 0.55
MTNR1A P48039 17/20 0.54
MTNR1B P49286 17/20 0.54
ACACB O00763 1/20 0.49
DRD2 P14416 1/20 0.48
HTR2A P28223 1/20 0.48
DRD3 P35462 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
SCHEMBL6588525 1.00 PIM1 (0.55) PIM1PIM3PIM2MTNR1AMTNR1B
SCHEMBL6579816 0.85 MTNR1A (0.73) MTNR1AMTNR1BACACBDRD2HTR2A
SCHEMBL6579808 0.85 MTNR1A (0.73) MTNR1AMTNR1BACACBDRD2HTR2A
SCHEMBL6582110 0.83 MTNR1A (0.74) MTNR1AMTNR1BACACB
SCHEMBL6582109 0.83 MTNR1A (0.74) MTNR1AMTNR1BACACB
SCHEMBL6583078 0.82 MTNR1A (0.75) MTNR1AMTNR1BDRD2HTR2ADRD3
SCHEMBL6582697 0.82 MTNR1A (0.75) MTNR1AMTNR1BDRD2HTR2ADRD3
SCHEMBL12283936 0.81 PIM1 (0.67) PIM1PIM3PIM2MTNR1AMTNR1B
SCHEMBL6583016 0.81 MTNR1A (0.74) MTNR1AMTNR1BDRD2HTR2ADRD3
SCHEMBL6583011 0.81 MTNR1A (0.74) MTNR1AMTNR1BDRD2HTR2ADRD3

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
EP-1189900-B1 HETEROCYCLIC AMINOPYRROLIDINE DERIVATIVES AS MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2004-01-14 EP disclosed
US-6211225-B1 SLEEP DISORDERS AND CIRCADIAN RHYTHM DISORDERS BRISTOL-MEYERS SQUIBB 2001-04-03 US disclosed