SCHEMBL5157458

SCHEMBL5157458

CC(C)(C)OC(=O)N1CCC(CN2CC(O)CC2C(=O)NC2C3CC4CC(C3)CC2C4)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 9/20 0.46
CYP2C9 P11712 1/20 0.41
EPHX2 P34913 2/20 0.38
EPHX1 P07099 1/20 0.38
CNR2 P34972 2/20 0.37
KDM4E B2RXH2 1/20 0.37
PKM P14618 1/20 0.37
NR1H2 P55055 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
FPR2 P25090 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
SCHEMBL6507281 1.00 HSD11B1 (0.46) HSD11B1CYP2C9EPHX2EPHX1CNR2
SCHEMBL6506890 0.84 EPHX1 (0.55) EPHX2EPHX1CNR2KDM4EPKM
SCHEMBL5157056 0.83 HSD11B1 (0.53) HSD11B1EPHX2CNR2HSD17B10L3MBTL1
SCHEMBL6503057 0.81 HSD11B1 (0.52) HSD11B1CYP2C9EPHX2EPHX1NR1H2
SCHEMBL6502476 0.81 HSD11B1 (0.57) HSD11B1EPHX2EPHX1CNR2HSD17B10
SCHEMBL6504279 0.78 HSD11B1 (0.51) HSD11B1EPHX2EPHX1CNR2HSD17B10
SCHEMBL6504975 0.78 CYP1A2 (0.51) HSD11B1CYP2C9EPHX2EPHX1HSD17B10
SCHEMBL5157466 0.73 HSD11B1 (0.58) HSD11B1CYP2C9EPHX2EPHX1HSD17B10
SCHEMBL6507024 0.73 HSD11B1 (0.44) HSD11B1EPHX2HSD17B10L3MBTL1
SCHEMBL5158011 0.71 HSD11B1 (0.51) HSD11B1EPHX2HSD17B10L3MBTL1

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-1745019-A1 NOVEL COMPOUNDS OF PROLINE AND MORPHOLINE DERIVATIVES PFIZER INC. (US) 2007-01-24 EP disclosed
WO-2005108359-A1 NOVEL COMPOUNDS OF PROLINE AND MORPHOLINE DERIVATIVES PFIZER INC. (US) 2005-11-17 WO disclosed