SCHEMBL7206572

SCHEMBL7206572

CNCCC#C[C@H]1CC[C@H](N(C)C(=O)Oc2ccc(Cl)cc2)CC1

nearest known ligand 0.69

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LSS P48449 10/20 0.69
ACHE P22303 3/20 0.38
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
LMNA P02545 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
MAPT P10636 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
AHCY P23526 1/20 0.34
MEN1 O00255 1/20 0.33
NPC1 O15118 1/20 0.33
POLB P06746 1/20 0.33
KMT2A Q03164 1/20 0.33
TACR3 P29371 1/20 0.33

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
SCHEMBL7206570 1.00 LSS (0.69) LSSACHECYP11B1CYP11B2LMNA
SCHEMBL7205977 0.88 LSS (0.54) LSSACHECYP11B1CYP11B2
SCHEMBL7205973 0.88 LSS (0.54) LSSACHECYP11B1CYP11B2
SCHEMBL4800809 0.87 LSS (0.78) LSSACHELMNAL3MBTL1MAPT
SCHEMBL4800806 0.87 LSS (0.78) LSSACHELMNAL3MBTL1MAPT
SCHEMBL4808060 0.85 LSS (0.69) LSSACHECYP11B1CYP11B2LMNA
SCHEMBL4808068 0.85 LSS (0.69) LSSACHECYP11B1CYP11B2LMNA
SCHEMBL4801624 0.85 LSS (0.81) LSSACHELMNAL3MBTL1
SCHEMBL4801628 0.85 LSS (0.81) LSSACHELMNAL3MBTL1
SCHEMBL4805082 0.84 LSS (0.68) LSSACHELMNAL3MBTL1MAPT

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-1311475-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2003-05-21 EP disclosed
WO-2002014267-A1 NOVEL AMINOCYCLOHEXANE DERIVATIVES F. HOFFMANN-LA ROCHE AG (CH) 2002-02-21 WO disclosed