SCHEMBL16627692

SCHEMBL16627692

C=Cc1ccc(NC(=O)c2cc3c(NC(=O)Cc4ccc(O)cc4)cccc3n(CC3Cc4ccccc4C3)c2=O)cc1

nearest known ligand 0.39

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.39
CNR2 P34972 6/20 0.39
P2RX7 Q99572 5/20 0.37
S1PR2 O95136 1/20 0.36
CXCR4 P61073 1/20 0.35
RXFP1 Q9HBX9 1/20 0.35
BCHE P06276 1/20 0.34
ACHE P22303 1/20 0.34
MAOB P27338 1/20 0.34
NPY5R Q15761 1/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
THRB P10828 1/20 0.34
HDAC3 O15379 1/20 0.34
MIF P14174 1/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC2 Q92769 1/20 0.34

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
SCHEMBL16627681 0.86 NPY5R (0.45) P2RX7S1PR2CXCR4RXFP1BCHE
SCHEMBL16627691 0.83 AHR (0.42) CXCR4RXFP1BCHEACHEMAOB
SCHEMBL16627576 0.82 P2RX7 (0.43) CNR1CNR2P2RX7THRB
SCHEMBL16627693 0.80 CNR1 (0.39) CNR1CNR2P2RX7RXFP1NPY5R
SCHEMBL16627816 0.77 P2RX7 (0.48) P2RX7S1PR2RXFP1
SCHEMBL16627874 0.77 P2RX7 (0.41) CNR1CNR2P2RX7RXFP1
SCHEMBL16627878 0.77 P2RX7 (0.49) P2RX7S1PR2
SCHEMBL16627823 0.76 NPY5R (0.47) P2RX7S1PR2NPY5R
SCHEMBL16627690 0.75 RXFP1 (0.40) RXFP1BCHEACHEMAOB
SCHEMBL16627588 0.75 AHR (0.41) P2RX7RXFP1MAOBNPY5R

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-2015050379-A1 NOVEL QUINOLINONE DERIVATIVE AND USE THEREOF 광주과학기술원 2015-04-09 WO disclosed