SCHEMBL9763575

SCHEMBL9763575

NC(=O)Nc1ccc(CCOCCCCCCN(Cc2ccccc2)C(=O)C(F)(F)F)cc1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 8/20 0.43
HTR5A P47898 1/20 0.39
FAAH O00519 3/20 0.39
CES1 P23141 3/20 0.39
NAMPT P43490 1/20 0.38
HDAC1 Q13547 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
ALDH1A1 P00352 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL9762903 0.87 FAAH (0.42) FAAHCES1
SCHEMBL9763073 0.86 FAAH (0.39) SPHK1HTR5AFAAHCES1
SCHEMBL9763406 0.83 FAAH (0.46) FAAHCES1
SCHEMBL9762547 0.81 KCNH2 (0.53) FAAHCES1ALDH1A1
SCHEMBL9762900 0.81 FAAH (0.38) FAAHCES1
SCHEMBL9763654 0.80 FAAH (0.39) FAAHCES1
SCHEMBL9763598 0.80 FFAR4 (0.43)
SCHEMBL9764529 0.78 L3MBTL1 (0.45) NAMPT
SCHEMBL9763665 0.75 SNCA (0.44) ALDH1A1
SCHEMBL9763263 0.75 L3MBTL1 (0.45) FAAHCES1NAMPT

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
US-4990505-A Treating asthma, bronchitis; adrenergic stimulants GLAXO GROUP LIMITED (GB) 1991-02-05 US disclosed