SCHEMBL4607660

SCHEMBL4607660

CC(C)(CNC(=O)c1ccccc1O)Cc1cnccc1CNC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ACHE P22303 5/20 0.52
BACE1 P56817 5/20 0.52
BCHE P06276 4/20 0.52
SIGMAR1 Q99720 3/20 0.45
POLB P06746 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
MAOB P27338 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
SCHEMBL4606799 0.97 ACHE (0.52) ACHEBACE1BCHESIGMAR1POLB
SCHEMBL4607782 0.85 ACHE (0.54) ACHEBACE1BCHESIGMAR1POLB
SCHEMBL3967196 0.75 ACHE (0.52) ACHEBACE1BCHESIGMAR1POLB
SCHEMBL3961957 0.75 ACHE (0.52) ACHEBACE1BCHESIGMAR1POLB
SCHEMBL3964862 0.73 ACHE (0.61) ACHEBACE1BCHESIGMAR1POLB
SCHEMBL4606730 0.72 KMT2A (0.40) POLBMEN1KMT2A
SCHEMBL3961164 0.71 ACHE (0.61) ACHEBACE1BCHESIGMAR1POLB
SCHEMBL4607163 0.71 MAPK1 (0.49) POLBMEN1KMT2A
SCHEMBL11100154 0.70 ACHE (1.00) ACHEBACE1BCHESIGMAR1POLB
SCHEMBL8569393 0.69 ACHE (0.74) ACHEBCHE

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-1440976-B1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production BOEHRINGER INGELHEIM PHARMA (DE) 2008-07-23 EP disclosed
EP-1440976-A1 Modified aminoacids, pharmaceuticals containing these compounds and method for their production Boehringer Ingelheim Pharma GmbH & Co.KG (DE) 2004-07-28 EP disclosed
EP-0927192-B1 MODIFIED AMINOACIDS, PHARMACEUTICALS CONTAINING THESE COMPOUNDS AND METHOD FOR THEIR PRODUCTION BOEHRINGER INGELHEIM PHARMA (DE) 2004-05-12 EP disclosed