SCHEMBL7444873

SCHEMBL7444873

CCCCOC(=O)N1CCC(c2c[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.56
ALDH1A1 P00352 1/20 0.52
OPRM1 P35372 1/20 0.51
OPRK1 P41145 1/20 0.51
OPRL1 P41146 1/20 0.51
SLC6A4 P31645 7/20 0.50
DRD2 P14416 4/20 0.50
CCR2 P41597 1/20 0.49
HTR1A P08908 7/20 0.48
HTR2A P28223 3/20 0.48
HTR7 P34969 3/20 0.48
HTR6 P50406 3/20 0.48
HTR1D P28221 2/20 0.48
HTR1B P28222 1/20 0.48
HTR1F P30939 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
SCHEMBL25080213 0.90 HSD11B1 (0.49) HSD11B1ALDH1A1OPRM1OPRK1OPRL1
SCHEMBL16245152 0.85 ALDH1A1 (0.64) HSD11B1ALDH1A1DRD2HTR2AHTR7
SCHEMBL29468193 0.85 ALDH1A1 (0.64) HSD11B1ALDH1A1DRD2HTR2AHTR7
SCHEMBL26911699 0.82 HSD11B1 (0.53) HSD11B1SLC6A4DRD2CCR2HTR1A
SCHEMBL4051581 0.82 DRD2 (0.64) HSD11B1ALDH1A1OPRM1OPRL1SLC6A4
SCHEMBL25080191 0.82 HSD11B1 (0.46) HSD11B1ALDH1A1CCR2HTR2AHTR1D
SCHEMBL25080034 0.81 MTNR1A (0.49) HSD11B1SLC6A4DRD2CCR2HTR1A
SCHEMBL4674153 0.81 HSD11B1 (0.60) HSD11B1ALDH1A1OPRM1OPRK1OPRL1
SCHEMBL18324763 0.81 KDM4E (0.69) HSD11B1ALDH1A1OPRM1OPRK1OPRL1
SCHEMBL5340537 0.79 HSD11B1 (0.68) HSD11B1ALDH1A1OPRM1OPRK1OPRL1

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-0958287-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1999-11-24 EP disclosed
WO-1998032748-A1 SULFAMIDE-METALLOPROTEASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 1998-07-30 WO disclosed