SCHEMBL7018101

SCHEMBL7018101

CN(CCOCc1cccc(CBr)c1)C(=O)OC(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 4/20 0.46
GLS O94925 2/20 0.41
PDK2 Q15119 1/20 0.41
HTR2C P28335 2/20 0.39
SLC6A4 P31645 2/20 0.39
AKT1 P31749 1/20 0.38
NPSR1 Q6W5P4 1/20 0.36
RIPK1 Q13546 1/20 0.36
HDAC3 O15379 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC2 Q92769 1/20 0.35
NCOR2 Q9Y618 1/20 0.35
PPARA Q07869 1/20 0.34
ACHE P22303 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSS P25774 1/20 0.34
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL23420055 0.88 L3MBTL1 (0.46) L3MBTL1PDK2RIPK1CTSBCTSS
SCHEMBL7024522 0.85 L3MBTL1 (0.44) L3MBTL1GLSPDK2HTR2CSLC6A4
SCHEMBL16993182 0.84 L3MBTL1 (0.62) L3MBTL1PDK2HTR2CSLC6A4NPSR1
SCHEMBL7025868 0.84 ACHE (0.48) L3MBTL1GLSPDK2HDAC3HDAC1
SCHEMBL7017694 0.83 MEN1 (0.42) ALDH1A1LMNAHTT
SCHEMBL7021352 0.83 GLS (0.53) GLSHTR2CSLC6A4AKT1RIPK1
SCHEMBL25829780 0.79 L3MBTL1 (0.46) L3MBTL1PDK2HTR2CSLC6A4AKT1
SCHEMBL2245966 0.79 AKT1 (0.48) L3MBTL1PDK2HTR2CSLC6A4AKT1
SCHEMBL31541772 0.78 L3MBTL1 (0.49) L3MBTL1GLSPDK2HTR2CSLC6A4
SCHEMBL18545548 0.77 PDK2 (0.52) L3MBTL1PDK2ALDH1A1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0997474-B1 Antithrombotic agents PFIZER (US) 2003-10-29 EP disclosed
US-6417203-B1 HETEROCYCLIC AMIDES PFIZER INC. 2002-07-09 US disclosed
US-6180627-B1 INDOLE, INDAZOLE, BENZOTRIAZOLE AND BENZIMIDAZOLE DERIVATIVES PFIZER INC. 2001-01-30 US disclosed
EP-0997474-A1 Antithrombotic agents PFIZER INC. (US) 2000-05-03 EP disclosed