SCHEMBL6949368

SCHEMBL6949368

CC(=O)Nc1ccc(CCCI)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.53
AOC3 Q16853 1/20 0.53
SMN1; SMN2 Q16637 4/20 0.52
HTT P42858 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52
TSHR P16473 2/20 0.51
ALDH1A1 P00352 3/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
TDP1 Q9NUW8 2/20 0.50
CA1 P00915 2/20 0.50
CA2 P00918 2/20 0.50
CA12 O43570 1/20 0.50
BRD4 O60885 1/20 0.50
NR1I2 O75469 1/20 0.50
MB P02144 1/20 0.50
CYP1A1 P04798 1/20 0.50
CA3 P07451 1/20 0.50
CYP3A4 P08684 1/20 0.50
MAPT P10636 1/20 0.50

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
SCHEMBL8681807 0.91 SMN1; SMN2 (0.57) POLBAOC3SMN1; SMN2HTTL3MBTL1
SCHEMBL1902060 0.89 SMN1; SMN2 (0.59) POLBAOC3SMN1; SMN2HTTL3MBTL1
SCHEMBL11116153 0.89 SMN1; SMN2 (0.59) POLBAOC3SMN1; SMN2HTTL3MBTL1
SCHEMBL8868366 0.87 POLB (0.54) POLBAOC3SMN1; SMN2HTTL3MBTL1
SCHEMBL29622963 0.85 AOC3 (0.67) POLBAOC3SMN1; SMN2HTTL3MBTL1
SCHEMBL29622962 0.85 AOC3 (0.67) POLBAOC3SMN1; SMN2HTTL3MBTL1
SCHEMBL14645643 0.84 CYP4A11 (0.54) POLBAOC3SMN1; SMN2HTTL3MBTL1
SCHEMBL2748237 0.84 POLB (0.73) POLBSMN1; SMN2ALDH1A1MEN1KMT2A
SCHEMBL8868289 0.83 SMN1; SMN2 (0.57) POLBAOC3SMN1; SMN2HTTL3MBTL1
SCHEMBL11201779 0.83 POLB (0.50) POLBAOC3SMN1; SMN2HTTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1150183-C New heterocyclic tertiary amines, process for their preparation and pharmaceutical compositions containing them ɪά��ʵ���� 2004-05-19 CN disclosed
EP-0765877-B1 5,6,7,8-Tetrahyronaphto(2,3-b)furan- and indano(5,6-b)furan-amino-compounds, processes for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-12-17 EP disclosed
US-5726208-A Heterocyclic tertiary amines ADIR ET COMPAGNIE (FR) 1998-03-10 US disclosed
US-5665765-A TREATMENT OF PARKINSON'S DISEASE, MEMORY DISORDERS, DISORDERS ASSOCIATED WITH DRUG ABUSE, DEPRESSION, AND PSYCHOTIC STATES ADIR ET COMPAGNIE (FR) 1997-09-09 US disclosed
CN-1152572-A New heterocyclic tertiary amines, process for their preparation and pharmaceutical compositions containing them ADIR (FR) 1997-06-25 CN disclosed
EP-0765877-A1 5,6,7,8-Tetrahyronaphto(2,3-b)furan- and indano(5,6-b)furan-amino-compounds, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1997-04-02 EP disclosed