SCHEMBL4670700

SCHEMBL4670700

Clc1cccc2[nH]cc(C3CC[N]CC3)c12

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 1/20 0.45
SLC6A4 P31645 4/20 0.42
HTR2C P28335 3/20 0.39
ADRB2 P07550 1/20 0.39
NR4A2 P43354 1/20 0.38
OPRM1 P35372 2/20 0.36
OPRK1 P41145 2/20 0.36
OPRL1 P41146 2/20 0.36
HTR1A P08908 1/20 0.35
GAA P10253 1/20 0.35
IDO1 P14902 1/20 0.35
HTR1F P30939 1/20 0.34
HTR2A P28223 1/20 0.34
HTR2B P41595 1/20 0.34
DRD2 P14416 1/20 0.33
DRD1 P21728 1/20 0.33
DRD5 P21918 1/20 0.33
CCR2 P41597 1/20 0.33

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
SCHEMBL4670703 0.83 HTR2C (0.58) GPR84SLC6A4HTR2CADRB2NR4A2
Bromide SCHEMBL7867381 0.78 HTR1F (0.52) GPR84SLC6A4HTR1AHTR1F
SCHEMBL1601125 0.74 HTR2C (0.68) HTR2CADRB2HTR2AHTR2B
SCHEMBL8876433 0.72 SLC6A4 (0.61) SLC6A4CCR2
SCHEMBL5584834 0.72 HTR2A (0.42) SLC6A4HTR2CHTR1AGAAIDO1
SCHEMBL3962246 0.71 TP53 (0.48) SLC6A4HTR2COPRL1HTR1AHTR2A
SCHEMBL5389620 0.71 CCR2 (0.48) HTR1FHTR2ADRD2CCR2
SCHEMBL4675206 0.70 SLC6A4 (0.58) GPR84SLC6A4HTR2CADRB2OPRM1
SCHEMBL4674713 0.70 SLC6A4 (0.58) GPR84SLC6A4HTR2CADRB2OPRM1
SCHEMBL5384995 0.69 CCR2 (0.51) CCR2

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