SCHEMBL6982186

SCHEMBL6982186

NC(=O)N1CCC[C@@H]1Oc1ccccn1

nearest known ligand 0.42

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
FURIN P09958 1/20 0.42
HCRTR1 O43613 4/20 0.41
HCRTR2 O43614 3/20 0.41
EPHX2 P34913 1/20 0.41
HRH3 Q9Y5N1 3/20 0.39
DPP4 P27487 1/20 0.39
KDM5A P29375 1/20 0.38
PKM P14618 1/20 0.37
SCD5 Q86SK9 1/20 0.36
LTA4H P09960 1/20 0.36
PTGS2 P35354 1/20 0.36

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
SCHEMBL5755975 0.79 ALDH1A1 (0.42) HCRTR1HCRTR2DPP4PKM
SCHEMBL5799262 0.79 EPHX2 (0.34) HCRTR1EPHX2PKM
SCHEMBL6985637 0.76 HTT (0.38) EPHX2HRH3DPP4
SCHEMBL30440955 0.74 ALDH1A1 (0.44) DPP4
SCHEMBL8296762 0.73 HSD11B1 (0.51) DPP4SCD5
SCHEMBL38659451 0.73 HSD11B1 (0.51) DPP4SCD5
SCHEMBL9596851 0.71 KDM5A (0.50) FURINHCRTR1HCRTR2EPHX2HRH3
SCHEMBL5789947 0.71 LTA4H (0.45) HCRTR1HCRTR2LTA4HPTGS2
SCHEMBL5857725 0.69 FURIN (0.50) FURINHCRTR1HCRTR2EPHX2HRH3
SCHEMBL31430923 0.69 PRMT5 (0.55) SCD5

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
EP-1289950-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2003-03-12 EP disclosed
EP-1192135-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
EP-1192132-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2002-04-03 EP disclosed
WO-2001096296-A1 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2001-12-20 WO disclosed
WO-2000076970-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed
WO-2000076971-A2 SERINE PROTEASE INHIBITORS ELI LILLY AND COMPANY (US) 2000-12-21 WO disclosed