SCHEMBL9004093

SCHEMBL9004093

CCC(/C=C/c1ccccc1)=N\OCCCN(C)C

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
BCHE P06276 9/20 0.51
ACHE P22303 8/20 0.51
HTR2A P28223 2/20 0.44
HTR2C P28335 2/20 0.44
HTR2B P41595 1/20 0.44
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
MAOB P27338 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
GP6 Q9HCN6 1/20 0.40
MEN1 O00255 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
HTT P42858 1/20 0.40
KMT2A Q03164 1/20 0.40
HDAC6 Q9UBN7 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LSS P48449 1/20 0.38

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
SCHEMBL9004102 0.92 HTR2A (0.51) BCHEACHEHTR2AHTR2CHTR2B
SCHEMBL9004126 0.90 BCHE (0.49) BCHEACHEHTR2AHTR2CHTR2B
SCHEMBL9004139 0.84 BCHE (0.46) BCHEACHEHTR2AHTR2CHTR2B
SCHEMBL9004095 0.84 BCHE (0.53) BCHEACHEHTR2AHTR2CHTR2B
SCHEMBL9004100 0.79 HTR2A (0.46) ACHEHTR2AHTR2CHTR2BLMNA
SCHEMBL9004071 0.78 HTR2A (0.48) BCHEACHEHTR2AHTR2CHTR2B
SCHEMBL9004155 0.78 LMNA (0.51) BCHEHTR2AHTR2CHTR2BLMNA
SCHEMBL9004119 0.77 MAOB (0.39) BCHEACHEHTR2AHTR2CHTR2B
SCHEMBL28936379 0.75 MAOB (0.48) LMNASMN1; SMN2MAOBMEN1CYP2D6
SCHEMBL9004105 0.73 BCHE (0.49) BCHEACHEHTR2AHTR2CHTR2B

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