SCHEMBL9763598

SCHEMBL9763598

O=C(N(CCCCCCOCCc1ccc(N2CCCC2)cc1)Cc1ccccc1)C(F)(F)F

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FFAR4 Q5NUL3 7/20 0.43
HRH3 Q9Y5N1 2/20 0.39
HRH4 Q9H3N8 1/20 0.39
NPC1 O15118 1/20 0.39
MAPT P10636 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9764529 0.93 L3MBTL1 (0.45) FFAR4HRH3HRH4MAPTSMN1; SMN2
SCHEMBL9763263 0.90 L3MBTL1 (0.45) FFAR4HRH3HRH4MAPTSMN1; SMN2
SCHEMBL9762903 0.84 FAAH (0.42) NPC1
SCHEMBL9763406 0.81 FAAH (0.46) NPC1
SCHEMBL9762547 0.80 KCNH2 (0.53) HRH3HRH4MAPTSMN1; SMN2
SCHEMBL9763073 0.80 FAAH (0.39)
SCHEMBL9763575 0.80 SPHK1 (0.43)
SCHEMBL9762900 0.78 FAAH (0.38) HRH3HRH4
SCHEMBL9763654 0.77 FAAH (0.39) HRH3HRH4
SCHEMBL9763665 0.74 SNCA (0.44)

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