SCHEMBL27558296

SCHEMBL27558296

[O]CCc1cccc(OCCN2CCOc3ccccc32)c1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOA P21397 2/20 0.43
MAOB P27338 2/20 0.43
TSHR P16473 2/20 0.42
KCNH2 Q12809 1/20 0.41
HTR1A P08908 2/20 0.41
KMT2A Q03164 1/20 0.40
CYSLTR2 Q9NS75 1/20 0.40
CYSLTR1 Q9Y271 1/20 0.40
GRM5 P41594 1/20 0.40
SLC6A4 P31645 1/20 0.40

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
SCHEMBL28746962 0.93 MAOB (0.45) MAOAMAOBTSHRKCNH2HTR1A
SCHEMBL27576358 0.89 MAOA (0.41) MAOAMAOBTSHRKCNH2HTR1A
SCHEMBL5431705 0.80 PPARG (0.48) TSHRKMT2ACYSLTR2CYSLTR1
SCHEMBL27576359 0.79 L3MBTL1 (0.47) TSHRHTR1AGRM5
SCHEMBL5457078 0.76 TSHR (0.41) TSHRKMT2ACYSLTR2CYSLTR1GRM5
SCHEMBL5803100 0.75 HTR1A (0.45) MAOAMAOBTSHRKCNH2HTR1A
SCHEMBL5107391 0.74 KMT2A (0.43) MAOAMAOBTSHRKCNH2HTR1A
SCHEMBL5104081 0.72 PPARG (0.55)
SCHEMBL11212676 0.71 TSHR (0.61) TSHRKCNH2HTR1AKMT2AGRM5
SCHEMBL5428241 0.71 HTR1A (0.42) MAOAMAOBTSHRKCNH2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1353699-A Substituted bicyclic heterocycles, process for their preparation and their use as antiobesity and hypocholesterolemic agents REDDY RESEARCH FOUNDATION (IN) 2002-06-12 CN claimed
CN-1353699-A Substituted bicyclic heterocycles, process for their preparation and their use as antiobesity and hypocholesterolemic agents REDDY RESEARCH FOUNDATION (IN) 2002-06-12 CN disclosed