SCHEMBL7330369

SCHEMBL7330369

CC(I)c1ccccc1C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.47
ACP3 P15309 1/20 0.43
HSD11B1 P28845 5/20 0.40
CNR2 P34972 2/20 0.39
MC4R P32245 1/20 0.38
IDO1 P14902 1/20 0.37
TDO2 P48775 1/20 0.37
TDP1 Q9NUW8 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
ALDH1A1 P00352 1/20 0.36
POLB P06746 1/20 0.36
MPO P05164 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
SLC6A4 P31645 1/20 0.35

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
SCHEMBL84477 0.82 P2RX7 (0.50) P2RX7ACP3HSD11B1CNR2MC4R
SCHEMBL8917833 0.82 ACP3 (0.46) P2RX7ACP3HSD11B1CNR2MC4R
SCHEMBL24816452 0.80 TSHR (0.43) P2RX7TDP1ALDH1A1
SCHEMBL2588201 0.78 P2RX7 (0.47) P2RX7ACP3HSD11B1CNR2MC4R
SCHEMBL2224459 0.78 P2RX7 (0.47) P2RX7ACP3HSD11B1CNR2MC4R
SCHEMBL1258401 0.78 P2RX7 (0.47) P2RX7ACP3HSD11B1CNR2MC4R
SCHEMBL13168657 0.78 ACP3 (0.47) P2RX7ACP3HSD11B1CNR2MC4R
SCHEMBL23172133 0.78 P2RX7 (0.47) P2RX7ACP3HSD11B1CNR2MC4R
SCHEMBL13537951 0.78 P2RX7 (0.47) P2RX7ACP3HSD11B1CNR2MC4R
SCHEMBL1727762 0.78 P2RX7 (0.47) P2RX7ACP3HSD11B1CNR2MC4R

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0771196-B1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1999-12-08 EP disclosed
EP-0771196-A4 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 1997-09-03 EP disclosed
EP-0771196-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1997-05-07 EP disclosed
WO-1996007405-A1 EXCITATORY AMINO ACID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 1996-03-14 WO disclosed