SCHEMBL2171464

SCHEMBL2171464

Cc1ccc(-c2cc(C(=O)NC[C@H](C)O)cc(-c3ncccc3C(F)(F)F)c2)nc1

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 7/20 0.51
P2RX2 Q9UBL9 7/20 0.51
NR1I2 O75469 3/20 0.51
TRPV1 Q8NER1 6/20 0.48
CYP2C9 P11712 1/20 0.44
SCN5A Q14524 3/20 0.42
SCN9A Q15858 3/20 0.42

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
SCHEMBL2171460 0.85 P2RX3 (0.61) P2RX3P2RX2NR1I2TRPV1CYP2C9
SCHEMBL638720 0.76 P2RX3 (0.74) P2RX3P2RX2NR1I2
SCHEMBL3660372 0.76 P2RX3 (0.45) P2RX3P2RX2
SCHEMBL15936386 0.75 P2RX3 (0.44) P2RX3P2RX2NR1I2CYP2C9
SCHEMBL14837447 0.75 P2RX3 (0.45) P2RX3P2RX2NR1I2
SCHEMBL2170842 0.73 P2RX3 (0.43) P2RX3P2RX2NR1I2
SCHEMBL3659404 0.71 P2RX3 (0.43) P2RX3P2RX2
SCHEMBL16495601 0.71 HPGDS (0.49) CYP2C9
SCHEMBL310920 0.70 P2RX3 (0.77) P2RX3P2RX2
SCHEMBL15779639 0.69 TRPV1 (0.80) TRPV1

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-2346825-A2 MODULATORS OF P2X3 RECEPTOR ACTIVITY Evotec AG (DE) 2011-07-27 EP disclosed
WO-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 WO disclosed