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SCHEMBL7210422

SCHEMBL7210422

CN(C)CC#CCC1CCC(N(C)C(=O)Oc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ LSS P48449 10/20 0.56
▸ HSD11B1 P28845 2/20 0.39
▸ ACHE P22303 2/20 0.37
▸ CYP11B1 P15538 1/20 0.35
▸ CYP11B2 P19099 1/20 0.35
▸ MCHR1 Q99705 2/20 0.35
▸ KIF11 P52732 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
SCHEMBL7209085 0.89 LSS (0.56) LSSHSD11B1ACHE
SCHEMBL7203695 0.87 LSS (0.56) LSSACHE
SCHEMBL4808082 0.86 LSS (0.52) LSSACHECYP11B1CYP11B2KIF11
SCHEMBL4808075 0.86 LSS (0.52) LSSACHECYP11B1CYP11B2KIF11
SCHEMBL4806954 0.80 LSS (0.74) LSSMCHR1
SCHEMBL4806947 0.80 LSS (0.74) LSSMCHR1
SCHEMBL4804745 0.77 LSS (0.61) LSSACHECYP11B1CYP11B2KIF11
SCHEMBL4804741 0.77 LSS (0.61) LSSACHECYP11B1CYP11B2KIF11
SCHEMBL4798736 0.77 LSS (0.70) LSSCYP11B1CYP11B2
SCHEMBL4798732 0.77 LSS (0.70) LSSCYP11B1CYP11B2

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