SCHEMBL5157638

SCHEMBL5157638

O=C(NC1C2CC3CC(C2)CC1C3)[C@H]1CN(C(=O)O)CCN1CC1CCCC1

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 17/20 0.58
HSD17B10 Q99714 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
NPC1 O15118 1/20 0.37
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.37
KMT2A Q03164 1/20 0.37

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
SCHEMBL5157965 0.86 HSD11B1 (0.61) HSD11B1HSD17B10L3MBTL1NPC1EPHX1
SCHEMBL6503057 0.84 HSD11B1 (0.52) HSD11B1HSD17B10L3MBTL1EPHX1EPHX2
SCHEMBL5160276 0.80 HSD11B1 (0.62) HSD11B1HSD17B10L3MBTL1NPC1EPHX1
SCHEMBL6504698 0.80 HSD11B1 (0.62) HSD11B1HSD17B10L3MBTL1NPC1EPHX1
SCHEMBL6502476 0.78 HSD11B1 (0.57) HSD11B1HSD17B10L3MBTL1NPC1EPHX1
SCHEMBL5177177 0.77 HSD11B1 (0.56) HSD11B1HSD17B10L3MBTL1NPC1EPHX1
SCHEMBL6510781 0.75 HSD11B1 (0.56) HSD11B1HSD17B10L3MBTL1NPC1EPHX1
SCHEMBL6503059 0.73 HSD11B1 (0.47) HSD11B1HSD17B10L3MBTL1NPC1EPHX1
SCHEMBL5312558 0.72 HSD11B1 (0.65) HSD11B1HSD17B10L3MBTL1NPC1EPHX1
SCHEMBL6510795 0.72 HSD11B1 (0.53) HSD11B1HSD17B10L3MBTL1NPC1EPHX1

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