SCHEMBL4673262

SCHEMBL4673262

O=C(C1CCOCC1)N1CCN(N2CCC(c3c[nH]c4ccc(F)cc34)CC2)CC1

nearest known ligand 0.64

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 4/20 0.64
OPRM1 P35372 3/20 0.48
OPRK1 P41145 3/20 0.48
OPRL1 P41146 3/20 0.48
SLC6A4 P31645 4/20 0.46
HTR1A P08908 4/20 0.46
HTR1D P28221 3/20 0.46
HTR1B P28222 1/20 0.46
HTR1F P30939 1/20 0.46
MAPK1 P28482 1/20 0.44
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR7 P34969 1/20 0.44
HTR6 P50406 1/20 0.44
CCR2 P41597 1/20 0.44

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
SCHEMBL4673257 0.84 HSD11B1 (0.54) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL4671603 0.81 HSD11B1 (0.56) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL18324838 0.80 HSD11B1 (0.55) HSD11B1OPRM1OPRL1SLC6A4HTR1A
SCHEMBL7316014 0.79 HSD11B1 (0.54) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL18324840 0.77 HSD11B1 (0.65) HSD11B1OPRM1OPRL1SLC6A4HTR1A
SCHEMBL5340537 0.77 HSD11B1 (0.68) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL8109656 0.77 OPRM1 (0.68) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL4673535 0.76 OPRM1 (0.56) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL18324763 0.76 KDM4E (0.69) HSD11B1OPRM1OPRK1OPRL1SLC6A4
SCHEMBL26912033 0.75 PRKDC (0.60) HSD11B1OPRM1OPRK1OPRL1SLC6A4

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-B2 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2008-04-09 EP disclosed
EP-0958287-B1 SULFAMIDE-METALLOPROTEASE INHIBITORS HOFFMANN LA ROCHE (CH) 2002-09-11 EP disclosed