SCHEMBL3657979

SCHEMBL3657979

Cc1ccc(-c2cc(C(=O)NCc3cnc(C)cn3)cc(C3(C(C)C)N=NN=N3)c2)nc1

nearest known ligand 0.65

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 14/20 0.65
P2RX2 Q9UBL9 14/20 0.65

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
SCHEMBL3659395 0.91 P2RX3 (0.54) P2RX3P2RX2
SCHEMBL3660215 0.85 P2RX3 (0.59) P2RX3P2RX2
SCHEMBL4417922 0.84 P2RX3 (0.73) P2RX3P2RX2
SCHEMBL3655316 0.83 P2RX3 (0.51) P2RX3P2RX2
SCHEMBL16875763 0.80 P2RX3 (0.43) P2RX3P2RX2
SCHEMBL639691 0.79 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL3781695 0.79 P2RX3 (0.64) P2RX3P2RX2
SCHEMBL639717 0.78 P2RX3 (1.00) P2RX3P2RX2
SCHEMBL3662324 0.78 P2RX3 (0.65) P2RX3P2RX2
SCHEMBL2275053 0.77 P2RX3 (0.64) P2RX3P2RX2

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-2234989-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND/OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
WO-2009077371-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDE DERIVATIVES AND THEIR USE AS P2X3 AND/OR P2X2/3 PURINERGIC RECEPTOR ANTAGONISTS F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed
EP-2038264-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES F.HOFFMANN-LA ROCHE AG (CH) 2009-03-25 EP disclosed
WO-2008000645-A1 TETRAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2008-01-03 WO disclosed