SCHEMBL2760641

SCHEMBL2760641

Cc1ccc(-c2cc(C(=O)NCCc3ccc(C(F)(F)F)nc3)cc(C(=O)N3CCCC3)c2)nc1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NR1I2 O75469 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALDH1A1 P00352 1/20 0.42
P2RX7 Q99572 1/20 0.41
ADORA2A P29274 1/20 0.41
SCN9A Q15858 5/20 0.41
SCN5A Q14524 1/20 0.41
P2RX3 P56373 6/20 0.38
P2RX2 Q9UBL9 6/20 0.38
LMNA P02545 1/20 0.38
TP53 P04637 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
OPRK1 P41145 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
SCHEMBL1495413 0.92 NR1I2 (0.47) NR1I2CYP2C9ADORA2ASCN9ASCN5A
SCHEMBL2760611 0.89 NR1I2 (0.43) NR1I2CYP2C9P2RX7SCN9ASCN5A
SCHEMBL2760665 0.89 P2RX3 (0.44) ALDH1A1P2RX7P2RX3P2RX2
SCHEMBL2760575 0.87 P2RX3 (0.47) ALDH1A1P2RX7P2RX3P2RX2LMNA
SCHEMBL2760748 0.83 NR1I2 (0.49) NR1I2CYP2C9ALDH1A1P2RX7P2RX3
SCHEMBL12757539 0.82 SCN5A (0.49) ALDH1A1ADORA2ASCN9ASCN5A
SCHEMBL1495384 0.81 NR1I2 (0.44) NR1I2CYP2C9SCN9ASCN5AP2RX3
SCHEMBL1495389 0.81 NR1I2 (0.44) NR1I2CYP2C9SCN9ASCN5AP2RX3
SCHEMBL1495751 0.81 NR1I2 (0.71) NR1I2CYP2C9P2RX3P2RX2
SCHEMBL12757587 0.80 HCRTR1 (0.47) P2RX7P2RX3P2RX2

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-2262766-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF Renovis, Inc. (US) 2010-12-22 EP claimed
WO-2009110985-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2009-09-11 WO claimed