SCHEMBL16627693

SCHEMBL16627693

O=C(Cc1ccc(CO)cc1)Nc1cccc2c1cc(C(=O)Nc1ccccc1)c(=O)n2CC1Cc2ccc(I)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 6/20 0.39
CNR2 P34972 6/20 0.39
P2RX7 Q99572 7/20 0.37
RXFP1 Q9HBX9 2/20 0.36
AHR P35869 2/20 0.35
ECE1 P42892 1/20 0.34
NPY5R Q15761 1/20 0.34
MAPT P10636 1/20 0.33
SIRT2 Q8IXJ6 1/20 0.33

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
SCHEMBL16627874 0.88 P2RX7 (0.41) CNR1CNR2P2RX7RXFP1MAPT
SCHEMBL16627816 0.83 P2RX7 (0.48) P2RX7RXFP1AHRMAPT
SCHEMBL16627878 0.83 P2RX7 (0.49) P2RX7MAPT
SCHEMBL16627692 0.80 CNR1 (0.39) CNR1CNR2P2RX7RXFP1NPY5R
SCHEMBL16627669 0.80 MAPT (0.44) CNR1CNR2P2RX7RXFP1AHR
SCHEMBL16627576 0.69 P2RX7 (0.43) CNR1CNR2P2RX7MAPT
SCHEMBL16627759 0.69 NPY5R (0.47) P2RX7NPY5RMAPT
SCHEMBL16627665 0.69 SMN1; SMN2 (0.51) CNR1CNR2P2RX7AHRECE1
SCHEMBL16627823 0.69 NPY5R (0.47) P2RX7NPY5RMAPT
SCHEMBL16627880 0.68 HDAC1 (0.47) P2RX7MAPT

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