SCHEMBL6595034

SCHEMBL6595034

Clc1ccc(C#Cc2ccccc2)nc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 10/20 0.54
FFAR1 O14842 1/20 0.50
FFAR4 Q5NUL3 1/20 0.50
APP P05067 1/20 0.46
PLAU P00749 1/20 0.44
PLAT P00750 1/20 0.44
GRM4 Q14833 1/20 0.43

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
SCHEMBL9495233 0.81 GRM5 (0.47) GRM5
SCHEMBL9499428 0.78 MCHR1 (0.48) GRM5FFAR1FFAR4
SCHEMBL9497080 0.78 MCHR1 (0.52) GRM5APP
SCHEMBL3955825 0.77 GRM5 (0.54) GRM5FFAR1FFAR4APP
SCHEMBL10131002 0.77 GRM5 (0.54) GRM5FFAR1FFAR4APP
SCHEMBL30833070 0.77 GRM5 (0.54) GRM5FFAR1FFAR4APP
SCHEMBL10131003 0.77 GRM5 (0.54) GRM5FFAR1FFAR4APPGRM4
SCHEMBL10131004 0.77 GRM5 (0.54) GRM5FFAR1FFAR4APPGRM4
SCHEMBL9495546 0.76 ACACB (0.53)
Hydrochloric Acid SCHEMBL4309309 0.76 GRM5 (0.53) GRM5FFAR1FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1157025-B1 PYRAZOLOPYRIDINES GLAXO GROUP LTD (GB) 2004-03-10 EP disclosed
US-6498166-B1 POTENT AND SELECTIVE INHIBITORS OF CYCLOOXYGENASE-2; TREATING PAIN, FEVER AND INFLAMMATION SMITHKLINE BEECHAM CORPORATION 2002-12-24 US disclosed
EP-1157025-A1 PYRAZOLOPYRIDINES GLAXO GROUP LIMITED (GB) 2001-11-28 EP disclosed
WO-2000052008-A1 PYRAZOLOPYRIDINES GLAXO GROUP LIMITED (GB) 2000-09-08 WO disclosed