SCHEMBL4673535

SCHEMBL4673535

O=CN1CCN(N2CCC(c3c[nH]c4ccc(F)cc34)CC2)CC1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.56
OPRK1 P41145 3/20 0.56
OPRL1 P41146 3/20 0.56
HSD11B1 P28845 3/20 0.53
SLC6A4 P31645 7/20 0.53
HTR1A P08908 8/20 0.51
HTR7 P34969 3/20 0.49
DRD2 P14416 2/20 0.49
HTR6 P50406 2/20 0.49
HTR2A P28223 2/20 0.49
DRD1 P21728 1/20 0.48
SLC6A2 P23975 1/20 0.48
HTR1B P28222 1/20 0.48
SLC6A3 Q01959 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
SCHEMBL8109656 0.84 OPRM1 (0.68) OPRM1OPRK1OPRL1HSD11B1SLC6A4
SCHEMBL4673530 0.81 SLC6A4 (0.53) OPRM1OPRK1OPRL1HSD11B1SLC6A4
SCHEMBL8103994 0.81 OPRM1 (0.64) OPRM1OPRK1OPRL1HSD11B1SLC6A4
SCHEMBL4671289 0.79 SLC6A4 (0.52) OPRM1OPRK1OPRL1HSD11B1SLC6A4
SCHEMBL4671603 0.79 HSD11B1 (0.56) OPRM1OPRK1OPRL1HSD11B1SLC6A4
SCHEMBL4673580 0.78 HTR1B (0.71) OPRM1OPRK1OPRL1SLC6A4HTR1A
SCHEMBL7478833 0.77 SLC6A4 (0.57) OPRM1OPRK1OPRL1HSD11B1SLC6A4
SCHEMBL7316014 0.77 HSD11B1 (0.54) OPRM1OPRK1OPRL1HSD11B1SLC6A4
SCHEMBL7486361 0.77 SLC6A4 (0.57) OPRM1OPRK1OPRL1HSD11B1SLC6A4
SCHEMBL5340537 0.77 HSD11B1 (0.68) OPRM1OPRK1OPRL1HSD11B1SLC6A4

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 3 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
US-6376506-B1 REACTING SULFAMOYL OXAZOLIDONE WITH (1,2,3,4)-TETRAHYDRO-BETA-CARBOLINE TO FORM INHIBITOR; USED TO TREAT ARTHRITIS, OSTEOPOROSIS, PERIODONTAL DISEASE, CARDIOVASCULAR DISEASES, MULTIPLE SCLEROSIS, AND TUMORS SYNTEX (U.S.A.) LLC 2002-04-23 US disclosed