SCHEMBL1676004

SCHEMBL1676004

NC(=O)OCC(c1cccc([N+](=O)[O-])c1)N1CCC(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.56
MGLL Q99685 2/20 0.45
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
NPC1 O15118 1/20 0.41
POLB P06746 1/20 0.41
RAB9A P51151 1/20 0.41
F2 P00734 1/20 0.41
F10 P00742 1/20 0.41
PRSS1 P07477 1/20 0.41
HTR2A P28223 2/20 0.40

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
SCHEMBL6471128 0.89 HSD11B1 (0.60) HSD11B1MGLLLMNAHTR2A
SCHEMBL6470534 0.85 HSD11B1 (0.53) HSD11B1MGLLF2F10PRSS1
SCHEMBL6470521 0.81 HSD11B1 (0.53) HSD11B1MGLLLMNAPOLBHTR2A
SCHEMBL1582335 0.80 HSD11B1 (0.56) HSD11B1MGLLNPC1POLBRAB9A
SCHEMBL6472809 0.79 MGLL (0.57) HSD11B1MGLLLMNAMAPT
SCHEMBL6472321 0.78 HSD11B1 (0.58) HSD11B1MGLLLMNAPOLBHTR2A
SCHEMBL6470683 0.77 HSD11B1 (0.47) HSD11B1MGLLLMNAPOLBHTR2A
SCHEMBL6473331 0.76 HSD11B1 (0.50) HSD11B1MGLLPOLB
SCHEMBL1582857 0.71 HTR2A (0.70) HSD11B1HTR2A
SCHEMBL1582854 0.71 HSD11B1 (0.66) HSD11B1MGLLLMNAMAPTHTR2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4674686-B2 2011-04-20 JP claimed
JP-2006502146-A 2006-01-19 JP claimed
EP-1546100-A1 NEW BENZOYL PIPERIDINE COMPOUNDS SK Corporation (KR) 2005-06-29 EP claimed
WO-2004018423-A1 NEW BENZOYL PIPERIDINE COMPOUNDS SK CORPORATION (KR) 2004-03-04 WO claimed
EP-1546100-A1 NEW BENZOYL PIPERIDINE COMPOUNDS SK Corporation (KR) 2005-06-29 EP disclosed
WO-2004018423-A1 NEW BENZOYL PIPERIDINE COMPOUNDS SK CORPORATION (KR) 2004-03-04 WO disclosed