SCHEMBL4607782

SCHEMBL4607782

CC(C)(CNC(=O)c1ccccc1O)Cc1ncccc1CNC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ACHE P22303 7/20 0.54
BACE1 P56817 7/20 0.54
BCHE P06276 5/20 0.54
SIGMAR1 Q99720 2/20 0.47
KMT2A Q03164 4/20 0.45
MEN1 O00255 3/20 0.45
POLB P06746 2/20 0.45
MAOB P27338 2/20 0.42
KDM4E B2RXH2 1/20 0.42
TSHR P16473 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 0.85 ACHE (0.52) ACHEBACE1BCHESIGMAR1KMT2A
SCHEMBL4607660 0.85 ACHE (0.52) ACHEBACE1BCHESIGMAR1KMT2A
SCHEMBL3964293 0.73 ACHE (0.55) ACHEBACE1BCHESIGMAR1KMT2A
SCHEMBL11100154 0.73 ACHE (1.00) ACHEBACE1BCHESIGMAR1KMT2A
SCHEMBL3959844 0.70 ACHE (0.64) ACHEBACE1BCHEKMT2AMEN1
SCHEMBL8569393 0.69 ACHE (0.74) ACHEBCHE
SCHEMBL16017733 0.69 DRD4 (0.57) ACHESIGMAR1KMT2AMEN1POLB
SCHEMBL4608634 0.68 HPGD (0.47) KMT2AMEN1POLBKDM4E
SCHEMBL16017732 0.67 KMT2A (0.52) SIGMAR1KMT2AMEN1POLB
SCHEMBL10107494 0.67 SLC6A12 (0.66) ACHESIGMAR1KMT2AMEN1POLB

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