SCHEMBL2171732

SCHEMBL2171732

Cc1ccc(-c2cc(C(=O)NCCc3cnc(C)nc3)cc(N3CCCCC3=O)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.53
RAB9A P51151 3/20 0.53
POLB P06746 2/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 1/20 0.43
P2RX3 P56373 3/20 0.42
P2RX2 Q9UBL9 3/20 0.42
MEN1 O00255 1/20 0.42
HPGD P15428 1/20 0.42
KMT2A Q03164 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
ALDH1A1 P00352 2/20 0.42
KIT P10721 2/20 0.41
USP2 O75604 1/20 0.40

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
SCHEMBL2171509 0.92 NPC1 (0.52) NPC1RAB9APOLBLMNATP53
SCHEMBL2190640 0.91 P2RX3 (0.49) NPC1RAB9APOLBLMNAP2RX3
SCHEMBL2171928 0.91 P2RX3 (0.51) NPC1RAB9APOLBLMNAP2RX3
SCHEMBL2186317 0.88 P2RX3 (0.49) NPC1RAB9APOLBLMNAP2RX3
SCHEMBL2170497 0.88 NPC1 (0.54) NPC1RAB9APOLBLMNAP2RX3
SCHEMBL2171537 0.85 P2RX3 (0.51) NPC1RAB9APOLBLMNAP2RX3
SCHEMBL2248955 0.83 P2RX3 (0.46) NPC1RAB9APOLBLMNAP2RX3
SCHEMBL2185262 0.83 P2RX3 (0.51) NPC1RAB9APOLBLMNAP2RX3
SCHEMBL2185308 0.81 CYP1A2 (0.48) P2RX3P2RX2
SCHEMBL2384236 0.81 CYP1A2 (0.48) 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