SCHEMBL6471128

SCHEMBL6471128

NC(=O)OCC(c1ccc([N+](=O)[O-])cc1)N1CCC(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 5/20 0.60
MGLL Q99685 2/20 0.47
MC4R P32245 1/20 0.47
HTR2A P28223 1/20 0.45
SLC18A3 Q16572 1/20 0.42
ALDH1A1 P00352 2/20 0.41
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
GAA P10253 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL1676004 0.89 HSD11B1 (0.56) HSD11B1MGLLHTR2ALMNA
SCHEMBL6472809 0.86 MGLL (0.57) HSD11B1MGLLLMNAKMT2A
SCHEMBL6472321 0.84 HSD11B1 (0.58) HSD11B1MGLLMC4RHTR2AALDH1A1
SCHEMBL6470683 0.83 HSD11B1 (0.47) HSD11B1MGLLHTR2AALDH1A1LMNA
SCHEMBL6470521 0.82 HSD11B1 (0.53) HSD11B1MGLLMC4RHTR2AALDH1A1
SCHEMBL1582908 0.79 HSD11B1 (0.60) HSD11B1MGLLMC4RHTR2A
SCHEMBL6470534 0.79 HSD11B1 (0.53) HSD11B1MGLLHTR2A
SCHEMBL6473331 0.77 HSD11B1 (0.50) HSD11B1MGLLALDH1A1SMN1; SMN2
SCHEMBL6214094 0.76 HSD11B1 (1.00) HSD11B1MGLLALDH1A1LMNASMN1; SMN2
SCHEMBL1582666 0.74 HSD11B1 (0.59) HSD11B1MGLLMC4RHTR2AALDH1A1

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-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