SCHEMBL6692234

SCHEMBL6692234

CCCCN1CCCN(C(=O)c2cc(N)ccc2OC)CC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 3/20 0.52
ACHE P22303 2/20 0.52
HTT P42858 1/20 0.49
GAA P10253 2/20 0.48
SLC29A1 Q99808 1/20 0.47
POLB P06746 1/20 0.47
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
ALDH1A1 P00352 2/20 0.45
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
DRD3 P35462 1/20 0.44
RAD52 P43351 1/20 0.44
GFER P55789 1/20 0.44
KDM4E B2RXH2 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL6692232 0.87 KMT2A (0.49) HTR4ACHEHTTGAASLC29A1
SCHEMBL6692578 0.84 LMNA (0.47) HTR4ACHEGAAKMT2AALDH1A1
SCHEMBL6692407 0.83 KMT2A (0.54) HTTGAASLC29A1POLBKMT2A
SCHEMBL6692413 0.83 KMT2A (0.53) HTR4HTTGAASLC29A1POLB
SCHEMBL6692012 0.81 CA2 (0.42) HTR4ACHE
SCHEMBL6930889 0.77 CA12 (0.50) SLC29A1POLBKMT2AMEN1ALDH1A1
SCHEMBL6697103 0.77 PARP1 (0.43) HTTGAAPOLBKMT2AMEN1
SCHEMBL5573082 0.75 LMNA (0.47) GAASLC29A1POLBKMT2AMEN1
Hydrochloric Acid SCHEMBL5570671 0.74 LMNA (0.46) GAASLC29A1POLBKMT2AMEN1
SCHEMBL22172135 0.74 ALDH1A1 (0.52) HTR4ACHEHTTGAAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004074438-A2 CCR8 ANTAGONISTS SMITHKLINE BEECHAM CORPORATION (US) 2004-09-02 WO claimed