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Sugi Predict / Compounds / SCHEMBL3855440

SCHEMBL3855440

SCHEMBL3855440

CC(C)c1noc(CC2CCCC2CC(=O)NC2C3CC4CC(C3)CC2C4)n1

nearest known ligand 0.61

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ HSD11B1 P28845 6/20 0.61
▸ EPHX2 P34913 5/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CNR2 P34972 7/20 0.36
▸ CNR1 P21554 1/20 0.35

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
SCHEMBL3612338 0.76 HSD11B1 (1.00) HSD11B1EPHX2L3MBTL1
SCHEMBL3621587 0.76 HSD11B1 (0.61) HSD11B1EPHX2L3MBTL1
SCHEMBL15310360 0.72 EPHX2 (0.64) HSD11B1EPHX2L3MBTL1
SCHEMBL14159648 0.70 HSD11B1 (0.75) HSD11B1
SCHEMBL3622942 0.61 HSD11B1 (1.00) HSD11B1EPHX2L3MBTL1
SCHEMBL21883987 0.61 HSD11B1 (0.36) HSD11B1
SCHEMBL19798424 0.61 KMT2A (0.58) HSD11B1EPHX2L3MBTL1
SCHEMBL3618676 0.60 HSD11B1 (0.59) HSD11B1EPHX2L3MBTL1
SCHEMBL1402900 0.59 L3MBTL1 (0.59) HSD11B1EPHX2L3MBTL1
SCHEMBL1402948 0.58 HSD11B1 (0.59) HSD11B1EPHX2L3MBTL1

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-2094263-A1 2-ADAMANTYL-BUTYRAMIDE DERIVATIVES AS SELECTIVE 11 BETA-HSD1 INHIBITORS Merck Patent GmbH (DE) 2009-09-02 — — EP claimed
WO-2008074384-A1 2-ADAMANTYL-BUTYRAMIDE DERIVATIVES AS SELECTIVE 11βETA-HSD1 INHIBITORS MERCK PATENT GMBH (DE) 2008-06-26 — — WO claimed