SCHEMBL9004076

SCHEMBL9004076

CCC(/C=C/c1ccc(OC)cc1)=N\OCCN(CC)CC

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.46
MAOB P27338 4/20 0.44
MAOA P21397 1/20 0.44
GSK3B P49841 1/20 0.43
ACHE P22303 5/20 0.43
BCHE P06276 4/20 0.43
F3 P13726 1/20 0.42
LMNA P02545 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TRPM8 Q7Z2W7 1/20 0.42
THRB P10828 1/20 0.41
ATM Q13315 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
SCHEMBL9004155 0.89 LMNA (0.51) MAOBMAOAGSK3BBCHEF3
SCHEMBL9004142 0.86 KCNH2 (0.42) MAOBACHEBCHELMNASMN1; SMN2
SCHEMBL9004149 0.77 KCNH2 (0.43) MAOBACHEBCHELMNASMN1; SMN2
SCHEMBL9412227 0.77 KCNH2 (0.43) MAOBACHEBCHELMNASMN1; SMN2
SCHEMBL9004105 0.76 BCHE (0.49) ACHEBCHELMNA
SCHEMBL9004104 0.75 TRPA1 (0.66) MAOBGSK3BF3LMNASMN1; SMN2
SCHEMBL9004100 0.74 HTR2A (0.46) MAOBACHELMNASMN1; SMN2
SCHEMBL9004102 0.74 HTR2A (0.51) MAOBACHEBCHE
SCHEMBL9004096 0.73 ACHE (0.38) MAOBACHEBCHELMNASMN1; SMN2
SCHEMBL9004085 0.72 BCHE (0.46) ACHEBCHELMNASMN1; SMN2

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
US-5486528-A ANTIULCER AGENTS, ANXIOLYTIC AGENTS EGIS GYOGYSZERGYAR RT. (HU) 1996-01-23 US disclosed
EP-0619299-A2 1-(Phenyl)-3-[omega-(amino)-alkoxyimino]-alk-1-ene derivatives, a process for preparing them as well as medicaments containing them and the use of them EGIS GYOGYSZERGYAR RT. (HU) 1994-10-12 EP disclosed