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SCHEMBL7939749

SCHEMBL7939749

Cc1ccc(-c2cc(C(=O)N[C@H](C)CN3CCOCC3)cc(-c3cc(C(F)(F)F)ccc3N)c2)nc1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ P2RX3 P56373 7/20 0.51
▸ P2RX2 Q9UBL9 7/20 0.51
▸ HDAC4 P56524 5/20 0.48
▸ HDAC6 Q9UBN7 3/20 0.48
▸ ALOX5AP P20292 1/20 0.44
▸ FEN1 P39748 1/20 0.44
▸ NR1I2 O75469 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43

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
SCHEMBL2172421 0.89 P2RX3 (0.49) P2RX3P2RX2HDAC4HDAC6NR1I2
SCHEMBL2172428 0.89 P2RX3 (0.49) P2RX3P2RX2HDAC4HDAC6NR1I2
SCHEMBL7945914 0.85 P2RX3 (0.60) P2RX3P2RX2ALOX5APFEN1NR1I2
SCHEMBL2171462 0.81 P2RX3 (0.53) P2RX3P2RX2HDAC4HDAC6NR1I2
SCHEMBL2171457 0.81 P2RX3 (0.53) P2RX3P2RX2HDAC4HDAC6NR1I2
SCHEMBL2171416 0.80 P2RX3 (0.53) P2RX3P2RX2HDAC4HDAC6NR1I2
SCHEMBL2275043 0.80 P2RX3 (0.50) P2RX3P2RX2HDAC4HDAC6NR1I2
SCHEMBL2185140 0.80 P2RX3 (0.53) P2RX3P2RX2HDAC4HDAC6
SCHEMBL16205285 0.78 P2RX3 (0.49) P2RX3P2RX2HDAC4HDAC6
SCHEMBL7948269 0.76 DHODH (0.44) P2RX3P2RX2ALOX5APFEN1NR1I2

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
WO-2010033168-A2 AMIDE COMPOUNDS, COMPOSITIONS AND USES THEREOF RENOVIS, INC. (US) 2010-03-25 — — WO disclosed