SCHEMBL2992264

SCHEMBL2992264

CCc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCN(C(C)=O)CC3)cc(-c3scnc3C)c2)cc1

nearest known ligand 0.68

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 2/20 0.68
P2RX2 Q9UBL9 1/20 0.68
VHL P40337 3/20 0.40
LMNA P02545 1/20 0.38
HRH3 Q9Y5N1 2/20 0.38
ELOC Q15369 1/20 0.37
ELOB Q15370 1/20 0.37

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
SCHEMBL409250 0.92 P2RX3 (0.79) P2RX3P2RX2
SCHEMBL406899 0.81 P2RX3 (1.00) P2RX3P2RX2HRH3
SCHEMBL10188012 0.80 P2RX3 (0.79) P2RX3P2RX2
SCHEMBL10187925 0.78 P2RX3 (0.58) P2RX3P2RX2
SCHEMBL408698 0.78 P2RX3 (0.58) P2RX3P2RX2
SCHEMBL409357 0.78 P2RX3 (0.58) P2RX3P2RX2
SCHEMBL2355771 0.77 P2RX3 (0.48) P2RX3P2RX2
SCHEMBL409366 0.74 P2RX3 (0.70) P2RX3P2RX2
SCHEMBL408812 0.74 P2RX3 (0.70) P2RX3P2RX2
SCHEMBL404560 0.72 P2RX3 (0.67) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7786110-B2 Thiazole and oxazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2010-08-31 US claimed