SCHEMBL14839655

SCHEMBL14839655

CNc1ccc(CN(C)CC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.49
BCHE P06276 3/20 0.49
ALDH1A1 P00352 3/20 0.46
LTA4H P09960 2/20 0.45
POLB P06746 1/20 0.44
NAMPT P43490 1/20 0.43
MEN1 O00255 4/20 0.43
KMT2A Q03164 4/20 0.43
MAPT P10636 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
LMNA P02545 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.42

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
SCHEMBL14805297 0.81 ALDH1A1 (0.53) ACHEBCHEALDH1A1LMNAKDM4E
SCHEMBL17083311 0.80 PYCR1 (0.50) ALDH1A1LTA4HMEN1KMT2AMAPT
SCHEMBL22815158 0.80 LTA4H (0.36) ACHEBCHELTA4HPOLBMEN1
Hydrochloric Acid SCHEMBL14798880 0.80 ALDH1A1 (0.51) ACHEBCHEALDH1A1LMNAKDM4E
SCHEMBL304452 0.80 RAB9A (0.55) ACHEBCHEALDH1A1LTA4HMEN1
SCHEMBL16590371 0.79 KMT2A (0.57) ALDH1A1LTA4HMEN1KMT2AMAPT
SCHEMBL14831985 0.79 LTA4H (0.47) ACHEBCHELTA4HMEN1KMT2A
Potassium SCHEMBL6997235 0.78 RAB9A (0.53) ACHEBCHEALDH1A1LTA4HMEN1
Hydrochloric Acid SCHEMBL5760483 0.78 RAB9A (0.53) ACHEBCHEALDH1A1LTA4HMEN1
SCHEMBL17083316 0.77 TAAR1 (0.58) ALDH1A1LTA4HLMNAKDM4E

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
EP-2760838-B1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARM SPA (IT) 2017-05-10 EP disclosed
WO-2013045280-A1 DERIVATIVES OF 1-PHENYL-2-PYRIDINYL ALKYL ALCOHOLS AS PHOSPHODIESTERASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2013-04-04 WO disclosed