SCHEMBL9762900

SCHEMBL9762900

Nc1cccc(CCOCCCCCCN(Cc2ccccc2)C(=O)C(F)(F)F)c1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FAAH O00519 3/20 0.38
CES1 P23141 3/20 0.38
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
OPRM1 P35372 2/20 0.38
OPRD1 P41143 2/20 0.38
EGFR P00533 1/20 0.36
ERBB2 P04626 1/20 0.36
HRH4 Q9H3N8 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35

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 0.89 FAAH (0.42) FAAHCES1MAOB
SCHEMBL9763406 0.86 FAAH (0.46) FAAHCES1MAOB
SCHEMBL9763654 0.84 FAAH (0.39) FAAHCES1HRH4HRH3
SCHEMBL9763575 0.81 SPHK1 (0.43) FAAHCES1
SCHEMBL9762547 0.80 KCNH2 (0.53) FAAHCES1HRH4HRH3
SCHEMBL6956921 0.79 GRIN2D (0.45) CES1MAOAMAOB
SCHEMBL9763073 0.79 FAAH (0.39) FAAHCES1EGFRERBB2
SCHEMBL9763598 0.78 FFAR4 (0.43) HRH4HRH3
SCHEMBL9763665 0.78 SNCA (0.44)
SCHEMBL6961364 0.77 MAOA (0.54) FAAHCES1MAOAMAOBOPRM1

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