SCHEMBL6988541

SCHEMBL6988541

CC(C)(C)OC(=O)C(C1CCNCC1)N1CCNCC1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.35
HRH3 Q9Y5N1 1/20 0.34
SLC6A2 P23975 4/20 0.33
SLC6A4 P31645 4/20 0.33
SLC6A3 Q01959 4/20 0.33
PADI1 Q9ULC6 1/20 0.33
PADI4 Q9UM07 1/20 0.33
CPN1 P15169 1/20 0.32
CPB2 Q96IY4 1/20 0.32
CHRNB2 P17787 1/20 0.32
CHRNA3 P32297 1/20 0.32
CHRNA4 P43681 1/20 0.32
CHRNB3 Q05901 1/20 0.32
CHRNA6 Q15825 1/20 0.32
CTSK P43235 2/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
F2R P25116 1/20 0.31
PLAT P00750 1/20 0.31
HPGD P15428 1/20 0.31

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
SCHEMBL4382303 0.91 HPGD (0.38) SIGMAR1HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL6951964 0.80 LMNA (0.39) HRH3SLC6A2SLC6A4SLC6A3
SCHEMBL1501924 0.77 CHEK1 (0.32)
SCHEMBL412203 0.76 CPN1 (0.36) SLC6A2SLC6A4SLC6A3CPN1CPB2
SCHEMBL4565414 0.76 CPN1 (0.36) SLC6A2SLC6A4SLC6A3CPN1CPB2
SCHEMBL6600488 0.76 SIGMAR1 (0.41) SIGMAR1HRH3HPGDOPRD1CHRM3
SCHEMBL27511091 0.76 CPN1 (0.36) HRH3SLC6A2SLC6A4SLC6A3CPN1
SCHEMBL6989033 0.75 CACNA2D1 (0.45) SIGMAR1
SCHEMBL6965942 0.74 HRH3 (0.34) SIGMAR1HRH3HPGDOPRD1CHRM3
SCHEMBL854892 0.74 DPP4 (0.37) HRH3SLC6A2SLC6A4SLC6A3CPN1

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-1289972-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
WO-2001096323-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed