SCHEMBL7208799

SCHEMBL7208799

CCCCCN(C)CCCO[C@H]1CC[C@H](N(C)C(=S)Nc2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LMNA P02545 6/20 0.42
SMN1; SMN2 Q16637 4/20 0.42
HTT P42858 3/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
MAPT P10636 3/20 0.39
KDM4E B2RXH2 1/20 0.38
GAA P10253 1/20 0.38
LSS P48449 2/20 0.37
KCNH2 Q12809 1/20 0.36
GPR119 Q8TDV5 1/20 0.36
EPHX2 P34913 1/20 0.35
LIPC P11150 1/20 0.35
LIPG Q9Y5X9 1/20 0.35
ALOX12 P18054 1/20 0.34
RECQL P46063 1/20 0.34
POLB P06746 1/20 0.33
USP30 Q70CQ3 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
SCHEMBL7208794 1.00 LMNA (0.42) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL7208602 0.97 LMNA (0.41) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL7208600 0.97 LMNA (0.41) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL4802564 0.87 LSS (0.49) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL4802568 0.87 LSS (0.49) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL4803358 0.86 LSS (0.51) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL4803362 0.86 LSS (0.51) LMNASMN1; SMN2HTTMEN1KMT2A
SCHEMBL7203967 0.86 USP30 (0.45) LSSKCNH2GPR119EPHX2POLB
SCHEMBL7203964 0.86 USP30 (0.45) LSSKCNH2GPR119EPHX2POLB
SCHEMBL7211436 0.85 LMNA (0.39) LMNASMN1; SMN2HTTMEN1KMT2A

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