SCHEMBL2171928

SCHEMBL2171928

Cc1ccc(-c2cc(C(=O)NCCc3cnc(C)nc3)cc(N3CCCCC3=O)c2)nc1

nearest known ligand 0.51

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 11/20 0.51
P2RX2 Q9UBL9 11/20 0.51
NPC1 O15118 3/20 0.51
RAB9A P51151 3/20 0.51
POLB P06746 2/20 0.47
LMNA P02545 1/20 0.47

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
SCHEMBL2170497 0.97 NPC1 (0.54) P2RX3P2RX2NPC1RAB9APOLB
SCHEMBL2171732 0.91 NPC1 (0.53) P2RX3P2RX2NPC1RAB9APOLB
SCHEMBL2172262 0.87 P2RX3 (0.53) P2RX3P2RX2
SCHEMBL16203107 0.84 P2RX3 (0.56) P2RX3P2RX2LMNA
SCHEMBL2171509 0.83 NPC1 (0.52) P2RX3P2RX2NPC1RAB9APOLB
SCHEMBL2760575 0.82 P2RX3 (0.47) P2RX3P2RX2LMNA
SCHEMBL2383584 0.82 P2RX3 (0.52) P2RX3P2RX2
SCHEMBL2190640 0.81 P2RX3 (0.49) P2RX3P2RX2NPC1RAB9APOLB
SCHEMBL2384947 0.79 P2RX3 (0.53) P2RX3P2RX2
SCHEMBL2382978 0.79 P2RX3 (0.53) 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 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