SCHEMBL2277572

SCHEMBL2277572

CCCc1ncnn1-c1cc(C(=O)O)cc(-c2ccc(C)cc2)c1.Cc1cnc(CN)cn1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 8/20 0.41
P2RX2 Q9UBL9 8/20 0.41
DHODH Q02127 1/20 0.35
LOXL2 Q9Y4K0 2/20 0.35
P2RY14 Q15391 2/20 0.35
CTRC Q99895 1/20 0.34
MAP4K4 O95819 1/20 0.34
KDM5A P29375 1/20 0.34
KDM4C Q9H3R0 1/20 0.34
KDM5B Q9UGL1 1/20 0.34
PPARG P37231 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
SCHEMBL2277566 0.90 DHODH (0.40) P2RX3P2RX2DHODHP2RY14CTRC
SCHEMBL4173794 0.88 CTRC (0.43) P2RX3P2RX2DHODHP2RY14CTRC
SCHEMBL2277571 0.84 P2RX3 (0.58) P2RX3P2RX2
SCHEMBL3655312 0.78 CTRC (0.40) P2RX3P2RX2DHODHP2RY14CTRC
SCHEMBL4172507 0.76 DHODH (0.39) P2RX3P2RX2DHODHP2RY14CTRC
SCHEMBL2276652 0.75 P2RX3 (0.62) P2RX3P2RX2
SCHEMBL4327351 0.71 P2RX3 (0.52) P2RX3P2RX2DHODHP2RY14PPARG
SCHEMBL2275247 0.71 P2RX3 (0.53) P2RX3P2RX2
SCHEMBL2278513 0.71 DHODH (0.42) P2RX3P2RX2DHODHP2RY14CTRC
SCHEMBL10244443 0.71 P2RX3 (0.57) 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-7989637-B2 Triazole-substituted arylamides as P2X3 and P2X2/3 antagonists ROCHE PALO ALTO LLC (US) 2011-08-02 US claimed