SCHEMBL3660372

SCHEMBL3660372

Cc1ccc(-c2cc(C(=O)NCC(C)O)cc(-c3ccnn3C(C)C)c2)nc1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 17/20 0.45
P2RX2 Q9UBL9 17/20 0.45

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
SCHEMBL14837447 0.88 P2RX3 (0.45) P2RX3P2RX2
SCHEMBL4156723 0.85 P2RX3 (0.61) P2RX3P2RX2
SCHEMBL3660371 0.85 P2RX3 (0.61) P2RX3P2RX2
SCHEMBL3662324 0.84 P2RX3 (0.65) P2RX3P2RX2
SCHEMBL4151520 0.84 P2RX3 (0.56) P2RX3P2RX2
SCHEMBL3659404 0.84 P2RX3 (0.43) P2RX3P2RX2
SCHEMBL4164171 0.84 P2RX3 (0.61) P2RX3P2RX2
SCHEMBL4155137 0.80 P2RX3 (0.63) P2RX3P2RX2
SCHEMBL4159952 0.78 P2RX3 (0.48) P2RX3P2RX2
SCHEMBL4165101 0.76 P2RX3 (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2234976-A1 NOVEL PYRAZOLE-SUBSTITUTED ARYLAMIDES F. Hoffmann-La Roche AG (CH) 2010-10-06 EP disclosed
WO-2009077367-A1 NOVEL PYRAZOLE-SUBSTITUTED ARYLAMIDES F. HOFFMANN-LA ROCHE AG (CH) 2009-06-25 WO disclosed