SCHEMBL3881807

SCHEMBL3881807

FC(Br)c1ccccc1C(F)(F)F

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX7 Q99572 1/20 0.48
ACP3 P15309 1/20 0.44
CNR2 P34972 2/20 0.40
MC4R P32245 1/20 0.39
IDO1 P14902 3/20 0.38
TDO2 P48775 1/20 0.38
ALDH1A1 P00352 1/20 0.38
POLB P06746 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
OPRM1 P35372 1/20 0.36
OPRD1 P41143 1/20 0.36
OPRK1 P41145 1/20 0.36
OPRL1 P41146 1/20 0.36
NOTUM Q6P988 1/20 0.35
HSD11B1 P28845 3/20 0.35
LMNA P02545 1/20 0.34
GAA P10253 1/20 0.34
SLC6A4 P31645 1/20 0.33
HTR2C P28335 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
SCHEMBL9242031 0.84 P2RX7 (0.50) P2RX7ACP3CNR2MC4RIDO1
SCHEMBL30705308 0.84 P2RX7 (0.50) P2RX7ACP3CNR2MC4RIDO1
SCHEMBL7011754 0.82 ACP3 (0.49) P2RX7ACP3CNR2IDO1TDO2
SCHEMBL10546400 0.81 ACP3 (0.47) P2RX7ACP3CNR2MC4RIDO1
SCHEMBL8911591 0.80 P2RX7 (0.47) P2RX7ACP3CNR2MC4RIDO1
SCHEMBL30062302 0.80 P2RX7 (0.67) P2RX7ACP3CNR2MC4RIDO1
SCHEMBL213827 0.80 P2RX7 (0.67) P2RX7ACP3CNR2MC4RIDO1
Ammonia Solution, Strong SCHEMBL27704288 0.78 P2RX7 (0.65) P2RX7ACP3CNR2MC4RIDO1
SCHEMBL21679847 0.77 ACP3 (0.44) P2RX7ACP3CNR2MC4RIDO1
SCHEMBL10540798 0.77 ACP3 (0.44) P2RX7ACP3CNR2MC4RIDO1

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
CN-105980381-A Substituted uracils and use thereof 拜耳医药股份有限公司 2016-09-28 CN disclosed
WO-2009004430-A1 N-BENZYL OXAZOLIDINONES AND RELATED HETEROCYCLEIC COMPOUNDS AS POTENTIATORS OF GLUTAMATE RECEPTORS PFIZER INC. (US) 2009-01-08 WO disclosed