SCHEMBL4672945

SCHEMBL4672945

Fc1ccc2c(C3CCN(N4CCN(CC5CC5)CC4)CC3)c[nH]c2c1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 2/20 0.64
OPRL1 P41146 2/20 0.64
OPRK1 P41145 1/20 0.64
DRD2 P14416 7/20 0.63
SLC6A4 P31645 3/20 0.63
ADRA1D P25100 3/20 0.60
HTR2A P28223 6/20 0.55
HTR1A P08908 4/20 0.55
DRD1 P21728 2/20 0.55
HTR2C P28335 2/20 0.55
DRD3 P35462 2/20 0.55
HTR6 P50406 2/20 0.55
ADRA1B P35368 1/20 0.53
HTR7 P34969 3/20 0.48
KCNH2 Q12809 3/20 0.48
CCR2 P41597 1/20 0.46

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
SCHEMBL4672939 0.81 OPRM1 (0.50) OPRM1OPRL1OPRK1DRD2SLC6A4
SCHEMBL8299251 0.79 DRD2 (0.73) OPRM1OPRL1OPRK1DRD2SLC6A4
SCHEMBL14280674 0.78 OPRL1 (1.00) OPRM1OPRL1OPRK1DRD2SLC6A4
SCHEMBL8878693 0.77 SLC6A4 (0.78) OPRM1OPRL1OPRK1DRD2SLC6A4
Bromide SCHEMBL7870891 0.76 DRD2 (0.73) OPRM1OPRL1DRD2SLC6A4ADRA1D
Hydrochloric Acid SCHEMBL7867314 0.76 DRD2 (0.73) OPRM1OPRL1DRD2SLC6A4ADRA1D
SCHEMBL18324859 0.76 DRD2 (0.58) OPRM1OPRL1OPRK1DRD2SLC6A4
SCHEMBL4677243 0.76 DRD2 (0.55) OPRM1OPRL1DRD2SLC6A4ADRA1D
SCHEMBL8877539 0.75 ADRA1D (0.79) DRD2SLC6A4ADRA1DHTR2AHTR1A
SCHEMBL30877204 0.75 DRD2 (0.67) OPRM1OPRL1DRD2SLC6A4ADRA1D

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
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
US-6143744-A Sulfamide-metalloprotease inhibitors SYNTEX (U.S.A.) INC. (US) 2000-11-07 US disclosed
US-6130220-A ENZYME INHIBITORS SYNTEX (USA) INC. (US) 2000-10-10 US disclosed
US-5998412-A ANTIARTHRITIC AGENTS; OSTEOPOROSIS SYNTEX (U.S.A.) INC. (US) 1999-12-07 US disclosed