SCHEMBL9668347

SCHEMBL9668347

COc1ccc(CCN2CCCCC2=O)cc1Br

nearest known ligand 0.54

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.46
POLB P06746 1/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
MTNR1A P48039 1/20 0.44
MTNR1B P49286 1/20 0.44
MCOLN3 Q8TDD5 1/20 0.43
ACHE P22303 1/20 0.43
LMNA P02545 2/20 0.43
HSP90AA1 P07900 1/20 0.43
MAPT P10636 2/20 0.43
HCN4 Q9Y3Q4 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL2016911 0.87 L3MBTL1 (0.55) HTTKMT2AMEN1MCOLN3ACHE
SCHEMBL3788597 0.85 HTT (0.56) HTTPOLBKMT2AMEN1MAPT
SCHEMBL29039328 0.80 HTR2A (0.63) HTTKMT2AMEN1ACHELMNA
SCHEMBL30385718 0.80 HTR2A (0.63) HTTKMT2AMEN1ACHELMNA
SCHEMBL3793071 0.76 KMT2A (0.55) HTTKMT2AMEN1LMNA
SCHEMBL16429902 0.75 KMT2A (0.64) KMT2AMEN1MTNR1AMTNR1BL3MBTL1
SCHEMBL12856209 0.74 POLB (0.50) POLBKMT2AMEN1MTNR1AMTNR1B
SCHEMBL23310509 0.74 KMT2A (0.58) POLBKMT2AMEN1LMNAMAPT
SCHEMBL16485862 0.74 L3MBTL1 (0.51) POLBKMT2AMEN1ACHEL3MBTL1
SCHEMBL9491484 0.73 MTNR1A (0.63) KMT2AMEN1MTNR1AMTNR1BLMNA

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
EP-0509005-A1 DIPHENYLSULPHOXIMINE MUSCARINIC RECEPTOR ANTAGONISTS Pfizer Limited (GB) 1992-10-21 EP disclosed