SCHEMBL6557540

SCHEMBL6557540

CC(C)(C)OC(=O)N[C@@H]1CCN(c2cccc(F)c2)C1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.49
MTNR1B P49286 1/20 0.49
SUV39H2 Q9H5I1 6/20 0.49
PIM1 P11309 1/20 0.48
PIM3 Q86V86 1/20 0.48
PIM2 Q9P1W9 1/20 0.48
NPY5R Q15761 1/20 0.48
CTSK P43235 2/20 0.47
KDM4D Q6B0I6 3/20 0.47
CKS1B P61024 1/20 0.46
SKP1 P63208 1/20 0.46
SKP2 Q13309 1/20 0.46
HPGDS O60760 1/20 0.46
BPTF Q12830 1/20 0.45
PDE10A Q9Y233 1/20 0.45

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
SCHEMBL1352103 1.00 MTNR1A (0.49) MTNR1AMTNR1BSUV39H2PIM1PIM3
SCHEMBL6557127 1.00 MTNR1A (0.49) MTNR1AMTNR1BSUV39H2PIM1PIM3
SCHEMBL30880018 0.93 MAP4K4 (0.49) KDM4DPDE10A
SCHEMBL1350899 0.87 GPR119 (0.58) MTNR1AMTNR1BSUV39H2PIM1PIM3
SCHEMBL1350901 0.87 GPR119 (0.58) MTNR1AMTNR1BSUV39H2PIM1PIM3
SCHEMBL32665586 0.87 MTNR1A (0.50) MTNR1AMTNR1BSUV39H2PIM1PIM3
SCHEMBL1800785 0.87 SUV39H2 (0.54) MTNR1AMTNR1BSUV39H2PIM1PIM3
SCHEMBL6559433 0.87 GPR119 (0.58) MTNR1AMTNR1BSUV39H2PIM1PIM3
SCHEMBL32665576 0.87 MTNR1A (0.50) MTNR1AMTNR1BSUV39H2PIM1PIM3
SCHEMBL29689683 0.87 NOTUM (0.57) MTNR1AMTNR1BSUV39H2PIM1PIM3

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-1392651-A1 HETEROCYCLIC UREAS, THEIR PREPARATION AND THEIR USE AS VANILLOID RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM PLC (GB) 2004-03-03 EP disclosed
WO-2002090326-A1 HETEROCYCLIC UREAS, THEIR PREPARATION AND THEIR USE AS VANILLOID RECEPTOR ANTAGONISTS SMITHKLINE BEECHAM P.L.C. (GB) 2002-11-14 WO disclosed