SCHEMBL22493216

SCHEMBL22493216

O=C(OCc1ccccc1)N1c2ccccc2B2c3ccccc3Sc3cccc1c32

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX4 Q99571 5/20 0.50
P2RX1 P51575 1/20 0.49
P2RX3 P56373 1/20 0.49
CTRB1 P17538 1/20 0.47
BCHE P06276 12/20 0.46
ACHE P22303 2/20 0.40
CHRM2 P08172 2/20 0.40
CHRM4 P08173 2/20 0.40
HTR1A P08908 2/20 0.40
CHRM5 P08912 2/20 0.40
CHRM1 P11229 2/20 0.40
ADRA2C P18825 2/20 0.40
CHRM3 P20309 2/20 0.40
HRH2 P25021 2/20 0.40
HTR2A P28223 2/20 0.40
HTR2C P28335 2/20 0.40
HRH1 P35367 2/20 0.40
DRD3 P35462 2/20 0.40
HTR2B P41595 2/20 0.40
HTR3A P46098 2/20 0.40

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
SCHEMBL22493161 0.88 P2RX4 (0.59) P2RX4P2RX1P2RX3CTRB1HTR2C
SCHEMBL22673781 0.81 P2RX4 (0.52) P2RX4P2RX1P2RX3CTRB1HTR2C
SCHEMBL22493172 0.81 P2RX4 (0.49) P2RX4P2RX1P2RX3CTRB1BCHE
SCHEMBL22493214 0.80 P2RX4 (0.65) P2RX4P2RX1P2RX3CTRB1NPC1
SCHEMBL22493215 0.78 P2RX4 (0.48) P2RX4P2RX1P2RX3CTRB1HTR2C
SCHEMBL25840356 0.71 BCHE (0.63) P2RX4P2RX1P2RX3BCHEACHE
SCHEMBL31722365 0.67 P2RX4 (1.00) P2RX4P2RX1P2RX3CTRB1NPC1
SCHEMBL29395154 0.67 P2RX4 (1.00) P2RX4P2RX1P2RX3CTRB1NPC1
SCHEMBL26478548 0.67 P2RX4 (1.00) P2RX4P2RX1P2RX3CTRB1NPC1
SCHEMBL29767257 0.66 L3MBTL1 (0.62) P2RX4P2RX1P2RX3CTRB1BCHE

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
US-20200313096-A1 ORGANIC LIGHT-EMITTING DEVICE AND ELECTRONIC APPARATUS SAMSUNG DISPLAY CO., LTD. (KR) 2020-10-01 US disclosed