SCHEMBL5137977

SCHEMBL5137977

C[C@H](CO)n1ccc2c(NC(=O)Cc3cccc(F)c3)cccc2c1=O

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 11/20 0.70
KCNQ2 O43526 1/20 0.47
PARP14 Q460N5 1/20 0.46
KDM4E B2RXH2 1/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
CES2 O00748 1/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL1590176 0.87 P2RX7 (0.79) P2RX7KCNQ2KDM4EALDH1A1
SCHEMBL1590347 0.87 P2RX7 (0.76) P2RX7KCNQ2KDM4E
SCHEMBL1590173 0.87 P2RX7 (0.79) P2RX7KCNQ2KDM4EALDH1A1
SCHEMBL1590848 0.87 P2RX7 (0.76) P2RX7KCNQ2KDM4E
SCHEMBL1592023 0.87 P2RX7 (0.79) P2RX7KCNQ2KDM4EALDH1A1
SCHEMBL1590419 0.86 P2RX7 (0.67) P2RX7KCNQ2ALDH1A1POLB
SCHEMBL1590495 0.85 P2RX7 (0.80) P2RX7KCNQ2PARP14KDM4EALDH1A1
SCHEMBL1591221 0.85 P2RX7 (0.80) P2RX7KCNQ2PARP14KDM4EALDH1A1
SCHEMBL1591210 0.85 P2RX7 (0.80) P2RX7KCNQ2PARP14KDM4EALDH1A1
SCHEMBL1590379 0.85 P2RX7 (0.79) P2RX7

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-1933622-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF Renovis, Inc. (US) 2008-06-25 EP disclosed
WO-2007109192-A2 BICYCLOHETEROARYL COMPOUNDS AS P2X7 MODULATORS AND USES THEREOF RENOVIS, INC. (US) 2007-09-27 WO disclosed