SCHEMBL6581769

SCHEMBL6581769

N[C@@H]1CCN(c2cccc3c2CCO3)C1

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 18/20 0.62
MTNR1B P49286 18/20 0.62
PIM1 P11309 1/20 0.41
PIM3 Q86V86 1/20 0.41
PIM2 Q9P1W9 1/20 0.41
KIF11 P52732 1/20 0.38

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
SCHEMBL6582946 1.00 MTNR1A (0.62) MTNR1AMTNR1BPIM1PIM3PIM2
SCHEMBL1285561 1.00 MTNR1A (0.62) MTNR1AMTNR1BPIM1PIM3PIM2
SCHEMBL6584385 0.81 ADRB1 (0.56)
SCHEMBL6584380 0.81 ADRB1 (0.56)
SCHEMBL1285441 0.78 MTNR1A (0.40) MTNR1AMTNR1BPIM1PIM3PIM2
SCHEMBL6583239 0.77 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL6583235 0.77 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL6585112 0.77 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL6583029 0.75 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL6582325 0.75 MTNR1A (1.00) 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 5 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
EP-1189900-A4 HETEROCYCLIC AMINOPYRROLIDINE DERIVATIVES AS MELATONERGIC AGENTS BRISTOL MYERS SQUIBB CO (US) 2002-07-31 EP disclosed
EP-1189900-A1 HETEROCYCLIC AMINOPYRROLIDINE DERIVATIVES AS MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-03-27 EP disclosed
US-6211225-B1 SLEEP DISORDERS AND CIRCADIAN RHYTHM DISORDERS BRISTOL-MEYERS SQUIBB 2001-04-03 US disclosed
WO-2001002392-A1 HETEROCYCLIC AMINOPYRROLIDINE DERIVATIVES AS MELATONERGIC AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2001-01-11 WO disclosed