SCHEMBL7806887

SCHEMBL7806887

CC(C)(C)OC(=O)N1CCC(c2ccc(NC(=O)c3cc(C(F)(F)F)ccc3-c3ccccc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NAMPT P43490 1/20 0.56
P2RY14 Q15391 2/20 0.55
DGAT1 O75907 2/20 0.51
MAPT P10636 5/20 0.51
JAK3 P52333 4/20 0.51
PTK2 Q05397 4/20 0.51
JAK2 O60674 3/20 0.51
POLB P06746 1/20 0.49
NR3C1 P04150 1/20 0.48
APOB P04114 1/20 0.47
MTTP P55157 1/20 0.47
PTPN2 P17706 1/20 0.46
PTPN1 P18031 1/20 0.46
PTPN6 P29350 1/20 0.46
TACR1 P25103 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
SCHEMBL6700839 0.90 NAMPT (0.58) NAMPTP2RY14DGAT1MAPTJAK3
SCHEMBL3289775 0.83 POLB (0.51) MAPTPOLBNR3C1APOBMTTP
SCHEMBL6580655 0.81 HIF1A (0.56) NR3C1
SCHEMBL8587342 0.80 APOB (0.52) NAMPTJAK3PTK2JAK2APOB
SCHEMBL28267041 0.79 P2RY14 (0.61) NAMPTP2RY14DGAT1MAPTJAK3
SCHEMBL2297690 0.78 P2RY14 (0.64) NAMPTP2RY14MAPTJAK3PTK2
SCHEMBL595242 0.76 DGAT1 (0.86) NAMPTDGAT1
SCHEMBL22050474 0.76 NAMPT (0.64) NAMPTP2RY14MAPTJAK3PTK2
SCHEMBL22051946 0.76 NAMPT (0.64) NAMPTP2RY14MAPTJAK3PTK2
SCHEMBL28977079 0.75 P2RY14 (0.47) P2RY14PTPN2PTPN1PTPN6TACR1

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
EP-1135378-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2001-09-26 EP disclosed
WO-2000032582-A1 BENZAMIDE DERIVATIVES AND THEIR USE AS APOB-100 SECRETION INHIBITORS GLAXO GROUP LIMITED (GB) 2000-06-08 WO disclosed