SCHEMBL5083262

SCHEMBL5083262

Fc1ccc(C2=C(Br)CCC2)cc1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 1/20 0.57
PTGS2 P35354 12/20 0.50
PTGS1 P23219 8/20 0.50
HTT P42858 1/20 0.35
NR3C2 P08235 1/20 0.35
HSD11B1 P28845 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
SCHEMBL8654430 0.77 FGF23 (0.46) MAPK14PTGS2
SCHEMBL8389316 0.76 MAPK14 (0.64) MAPK14PTGS2PTGS1HTTNR3C2
SCHEMBL8266062 0.74 MAPK14 (0.62) MAPK14PTGS2PTGS1
SCHEMBL5694270 0.74 MAPK14 (0.62) MAPK14PTGS2PTGS1HTTNR3C2
SCHEMBL5550388 0.74 MAPK14 (0.57) MAPK14PTGS2PTGS1
SCHEMBL8652478 0.74 PTGS2 (0.56) PTGS2PTGS1
SCHEMBL8993560 0.71 PTGS2 (0.34) MAPK14PTGS2PTGS1
SCHEMBL8310544 0.71 PTGS2 (0.67) PTGS2PTGS1
SCHEMBL7670704 0.70 MAPK14 (0.47) MAPK14PTGS2PTGS1HTTNR3C2
SCHEMBL21346789 0.69 MAPK14 (0.52) MAPK14PTGS2PTGS1HTTNR3C2

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 14 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937264-A2 COMBINATION THERAPY FOR THE TREATMENT OF URINARY FREQUENCY, URINARY URGENCY AND URINARY INCONTINENCE Merck & Co., Inc. (US) 2008-07-02 EP disclosed
WO-2007146224-A2 COMBINATION THERAPY FOR THE TREATMENT OF URINARY FREQUENCY, URINARY URGENCY AND URINARY INCONTINENCE MERCK & CO., INC. (US) 2007-12-21 WO disclosed
WO-2007044296-A2 COMBINATION THERAPY FOR THE TREATMENT OF URINARY FREQUENCY, URINARY URGENCY AND URINARY INCONTINENCE MERCK & CO., INC. (US) 2007-04-19 WO disclosed
EP-1761488-A1 LACTAM TACHYKININ RECEPTOR ANTAGONISTS Merck & Co., Inc. (US) 2007-03-14 EP disclosed
WO-2006002117-A1 LACTAM TACHYKININ RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2006-01-05 WO disclosed
EP-0724566-B1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION SEARLE & CO (US) 1998-10-07 EP disclosed
US-5663180-A ANTIARTHRITIC, ANTIINFLAMMATORY AGENTS G.D. SEARLE & CO. (US) 1997-09-02 US disclosed
US-5576339-A Pyridyl substituted cyclopentadienes for the treatment of inflamation HUANG HORNG-CHIH (US) 1996-11-19 US disclosed
EP-0724566-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1996-08-07 EP disclosed
WO-1995030656-A1 SUBSTITUTED CYCLOPENTADIENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-11-16 WO disclosed
US-5420287-A 1,2 diarylcyclopentenyl compounds for the treatment of inflammation G. D. SEARLE & CO. (US) 1995-05-30 US disclosed
US-5418254-A Side effect reduction G. D. SEARLE & CO. (US) 1995-05-23 US disclosed
WO-1995011883-A1 1,2-DIARYLCYCLOPENTENYL COMPOUNDS FOR THE TREATMENT OF INFLAMMATION G.D. SEARLE & CO. (US) 1995-05-04 WO disclosed
US-5344991-A Sulfonyl or sulfamyl derivatives for treatment of arthritis and pain G.D. SEARLE & CO. (US) 1994-09-06 US disclosed