SCHEMBL5539449

SCHEMBL5539449

COc1ccccc1CNC1CCN(C(C)(C)C)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.65
KMT2A Q03164 3/20 0.65
POLB P06746 1/20 0.65
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
GAA P10253 1/20 0.54
ALOX12 P18054 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
BCHE P06276 3/20 0.54
ACHE P22303 3/20 0.54
BACE1 P56817 2/20 0.54
TACR1 P25103 7/20 0.50
KDM1A O60341 2/20 0.48
MAOA P21397 2/20 0.48
MAOB P27338 1/20 0.48
CHRM5 P08912 2/20 0.47
CACNA1F O60840 1/20 0.47
CACNA1D Q01668 1/20 0.47
CACNA1S Q13698 1/20 0.47
CACNA1C Q13936 1/20 0.47

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
Methylene Chloride SCHEMBL5988600 0.96 MEN1 (0.65) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL5988603 0.87 MEN1 (0.63) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL695065 0.84 MEN1 (0.68) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL18143026 0.81 GAA (0.49) MEN1KMT2APOLBGAABCHE
SCHEMBL27091860 0.80 MEN1 (0.65) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL6188507 0.80 MRGPRX1 (0.48) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL4200062 0.79 MEN1 (0.57) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL18143019 0.77 MEN1 (0.53) MEN1KMT2APOLBALDH1A1BCHE
SCHEMBL8696023 0.77 MEN1 (0.60) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL955623 0.77 ACHE (0.62) MEN1KMT2ABCHEACHEBACE1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1787984-B1 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES ACADIA PHARM INC (US) 2016-10-19 EP disclosed
EP-1787984-A2 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES Arcadia Pharmaceuticals Inc. (US) 2007-05-23 EP disclosed
EP-1263729-B1 AZACYCLIC COMPOUNDS FOR USE IN THE TREATMENT OF SEROTONIN RELATED DISEASES ACADIA PHARM INC (US) 2006-12-20 EP disclosed