SCHEMBL5779725

SCHEMBL5779725

CN(C)CCCOc1ccccc1C1=NN(c2ccccc2)C(=O)CO1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.44
HTR7 P34969 2/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HRH1 P35367 1/20 0.39
MAOB P27338 2/20 0.39
ADRB2 P07550 1/20 0.39
ADRB1 P08588 1/20 0.39
HTR1B P28222 1/20 0.38
BCHE P06276 1/20 0.37
MAOA P21397 1/20 0.37
ACHE P22303 1/20 0.37

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 SCHEMBL5779062 0.99 KDM4E (0.43) KDM4EHTR7ALDH1A1SMN1; SMN2HRH1
SCHEMBL5781445 0.95 HTR7 (0.48) KDM4EHTR7ALDH1A1SMN1; SMN2MAOB
Hydrochloric Acid SCHEMBL5785010 0.94 HTR7 (0.47) KDM4EHTR7ALDH1A1SMN1; SMN2MAOB
SCHEMBL10636445 0.84 SHMT2 (0.43) KDM4EALDH1A1SMN1; SMN2
SCHEMBL6766532 0.81 KDM4E (0.53) KDM4EALDH1A1SMN1; SMN2HRH1
SCHEMBL5781776 0.81 HTR7 (0.38) KDM4EHTR7ALDH1A1SMN1; SMN2MAOB
SCHEMBL6763534 0.81 KDM4E (0.50) KDM4EALDH1A1SMN1; SMN2HRH1
Hydrochloric Acid SCHEMBL6773276 0.81 KDM4E (0.52) KDM4EALDH1A1SMN1; SMN2HRH1
Hydrochloric Acid SCHEMBL5780676 0.81 HTR7 (0.37) KDM4EHTR7ALDH1A1SMN1; SMN2HRH1
SCHEMBL5781166 0.81 HTR7 (0.46) KDM4EHTR7ALDH1A1SMN1; SMN2MAOB

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