SCHEMBL5209977

SCHEMBL5209977

CC(C)(C)OC(=O)N1CCC(c2cccc(NC(=O)CCCCc3ccccc3)c2)CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.49
GPR119 Q8TDV5 3/20 0.48
NPC1 O15118 1/20 0.47
POLB P06746 1/20 0.47
RAB9A P51151 1/20 0.47
USP30 Q70CQ3 1/20 0.47
DRD2 P14416 2/20 0.46
ALOX12 P18054 1/20 0.46
STS P08842 1/20 0.46
TPSAB1 Q15661 1/20 0.45
TPSD1 Q9BZJ3 1/20 0.45
TPSG1 Q9NRR2 1/20 0.45
DRD4 P21917 1/20 0.45
DRD3 P35462 1/20 0.45
LMNA P02545 1/20 0.45
TGFBR1 P36897 1/20 0.45
GAA P10253 1/20 0.44
THRB P10828 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL3986594 0.87 NAMPT (0.51) NAMPTGPR119NPC1RAB9ADRD2
SCHEMBL14587425 0.87 GPR119 (0.51) NAMPTGPR119NPC1POLBRAB9A
SCHEMBL3985434 0.86 NPC1 (0.52) NAMPTNPC1POLBRAB9ADRD2
SCHEMBL5659857 0.83 NAMPT (0.54) NAMPTGPR119NPC1RAB9ADRD2
SCHEMBL10127693 0.82 NAMPT (0.52) NAMPTGPR119USP30ALOX12STS
SCHEMBL3988080 0.81 GPR119 (0.46) NAMPTGPR119DRD2ALOX12
SCHEMBL3811908 0.81 GPR119 (0.46) NAMPTGPR119STSLMNATHRB
SCHEMBL2878255 0.80 NAMPT (0.57) NAMPTGPR119NPC1RAB9ADRD2
SCHEMBL5663251 0.79 PTPN2 (0.62) NAMPTGPR119NPC1RAB9AALOX12
SCHEMBL22315798 0.79 EPHX1 (0.59) GPR119NPC1RAB9ASTS

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1556351-A4 SECONDARY AMINO ANILINIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF LUNDBECK & CO AS H (DK) 2007-07-25 EP disclosed
EP-1556351-A1 SECONDARY AMINO ANILINIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF H. Lundbeck A/S (DK) 2005-07-27 EP disclosed
WO-2004005257-A1 SECONDARY AMINO ANILINIC PIPERIDINES AS MCH1 ANTAGONISTS AND USES THEREOF H. LUNDBECK A/S (DK) 2004-01-15 WO disclosed