SCHEMBL6944907

SCHEMBL6944907

CC(=O)NC1CCN(c2ccc(Cl)cn2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMO Q99835 2/20 0.55
CKS1B P61024 1/20 0.55
SKP1 P63208 1/20 0.55
SKP2 Q13309 1/20 0.55
GPR119 Q8TDV5 1/20 0.50
DEGS1 O15121 1/20 0.50
PANK3 Q9H999 1/20 0.48
KDM4E B2RXH2 1/20 0.47
MAPT P10636 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
GRIA1 P42261 1/20 0.46
CNR2 P34972 1/20 0.46
AOC3 Q16853 1/20 0.46
CNR1 P21554 1/20 0.46
DRD2 P14416 1/20 0.46
STK4 Q13043 1/20 0.45
STK3 Q13188 1/20 0.45
LRRK2 Q5S007 1/20 0.45
RAB9A P51151 1/20 0.44
EGLN1 Q9GZT9 1/20 0.44

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
SCHEMBL2006084 0.88 DEGS1 (0.51) SMOCKS1BSKP1SKP2GPR119
SCHEMBL27808913 0.86 PANK3 (0.51) SMOGPR119DEGS1PANK3KDM4E
SCHEMBL23323204 0.83 CKS1B (0.60) SMOCKS1BSKP1SKP2GPR119
SCHEMBL3311625 0.83 CKS1B (0.57) SMOCKS1BSKP1SKP2MAPT
SCHEMBL16769732 0.82 GPR119 (0.53) GPR119DEGS1PANK3KDM4EMAPT
SCHEMBL1345454 0.81 JAK2 (0.55) SMOCKS1BSKP1SKP2GPR119
SCHEMBL2301058 0.78 CKS1B (0.60) SMOCKS1BSKP1SKP2GPR119
Trifluoroacetic Acid SCHEMBL27808901 0.78 DEGS1 (0.46) SMOCKS1BSKP1SKP2DEGS1
SCHEMBL13103496 0.77 SYK (0.54) SMOCKS1BSKP1SKP2HRH3
SCHEMBL14376032 0.77 SYK (0.54) SMOCKS1BSKP1SKP2HRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6649627-B1 N-Substituted with 1- (pyrid-2-yl)-piperidine-4-yl radical; gastrointestinal and psychological disorder treatment; antidiabetic tocolytic, and antidepressant agents; irritable bowel syndrome, glaucoma and dysmenorrhoea SANOFI-SYNTHELABO (FR) 2003-11-18 US disclosed
EP-1087961-B1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI SYNTHELABO (FR) 2002-08-14 EP disclosed
EP-1087961-A1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 2001-04-04 EP disclosed
WO-1999065895-A1 PHENOXYLPROPANOLAMINES, METHOD FOR THE PRODUCTION THEREOF AND PHARMACEUTICAL COMPOSITIONS CONTAINING THE SAME SANOFI-SYNTHELABO (FR) 1999-12-23 WO disclosed