SCHEMBL5779094

SCHEMBL5779094

O=C1COC(c2ccccc2OCCN2CCOCC2)=NN1c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
POLB P06746 2/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
USP2 O75604 1/20 0.48
DRD1 P21728 1/20 0.47
DRD4 P21917 1/20 0.47
DRD5 P21918 1/20 0.47
BRD4 O60885 1/20 0.44
MAOB P27338 1/20 0.43
NPC1 O15118 1/20 0.41
RAB9A P51151 1/20 0.41
ALDH1A1 P00352 1/20 0.41
OXTR P30559 1/20 0.41
AVPR1A P37288 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 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
Hydrochloric Acid SCHEMBL6768032 0.99 KDM4E (0.53) KDM4EPOLBL3MBTL1USP2DRD1
SCHEMBL5780359 0.93 KDM4E (0.49) KDM4EPOLBL3MBTL1USP2DRD1
Hydrochloric Acid SCHEMBL5782752 0.92 KDM4E (0.48) KDM4EPOLBL3MBTL1USP2DRD1
SCHEMBL6763534 0.92 KDM4E (0.50) KDM4EPOLBL3MBTL1DRD1DRD4
SCHEMBL6763508 0.91 KDM4E (0.52) KDM4EPOLBL3MBTL1DRD1DRD4
SCHEMBL5779879 0.87 POLB (0.45) KDM4EPOLBL3MBTL1USP2DRD1
Hydrochloric Acid SCHEMBL5777092 0.86 POLB (0.44) KDM4EPOLBL3MBTL1USP2DRD1
SCHEMBL5780821 0.86 KDM4E (0.48) KDM4EPOLBL3MBTL1USP2DRD1
SCHEMBL5777171 0.86 POLB (0.52) KDM4EPOLBL3MBTL1USP2DRD1
SCHEMBL6766532 0.86 KDM4E (0.53) KDM4EPOLBL3MBTL1USP2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1153922-B1 HETERODIAZINONE DERIVATIVES EISAI CO LTD (JP) 2006-04-26 EP claimed
EP-1153922-A1 HETERODIAZINONE DERIVATIVES Eisai Co., Ltd. (JP) 2001-11-14 EP claimed
EP-1153922-B1 HETERODIAZINONE DERIVATIVES EISAI CO LTD (JP) 2006-04-26 EP disclosed
US-6825192-B1 NON-N-METHYL-D-ASPARTATE (NON- NMDA) EXCITATORY AMINO ACID RECEPTOR ANTAGONISTIC ACTION, FOR EXAMPLE 2-AMINO-3-HYDROXY-5-METHYL-4-ISOXAZOLE PROPIONIC ACID (AMPA) RECEPTOR ANTAGONISTIC ACTION EISAI CO., LTD. (JP) 2004-11-30 US disclosed
EP-1153922-A1 HETERODIAZINONE DERIVATIVES Eisai Co., Ltd. (JP) 2001-11-14 EP disclosed