SCHEMBL7209307

SCHEMBL7209307

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

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.47
MAPT P10636 6/20 0.43
LMNA P02545 5/20 0.43
KMT2A Q03164 3/20 0.41
HTT P42858 1/20 0.39
ALDH1A1 P00352 3/20 0.39
ALOX12 P18054 2/20 0.38
RECQL P46063 1/20 0.38
MEN1 O00255 2/20 0.38
GAA P10253 2/20 0.38
HPGD P15428 1/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
PTGES O14684 1/20 0.36

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
SCHEMBL7211436 0.89 LMNA (0.39) SMN1; SMN2MAPTLMNAKMT2AHTT
SCHEMBL7211442 0.89 LMNA (0.39) SMN1; SMN2MAPTLMNAKMT2AHTT
SCHEMBL7211229 0.89 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1CNR1CNR2
SCHEMBL7211231 0.89 SMN1; SMN2 (0.43) SMN1; SMN2L3MBTL1CNR1CNR2
SCHEMBL4802677 0.88 LSS (0.45) SMN1; SMN2MAPTLMNAKMT2AALDH1A1
SCHEMBL4802688 0.88 LSS (0.45) SMN1; SMN2MAPTLMNAKMT2AALDH1A1
SCHEMBL7208600 0.88 LMNA (0.41) SMN1; SMN2MAPTLMNAKMT2AHTT
SCHEMBL7208602 0.88 LMNA (0.41) SMN1; SMN2MAPTLMNAKMT2AHTT
SCHEMBL7211279 0.87 LMNA (0.37) SMN1; SMN2MAPTLMNAHTTALOX12
SCHEMBL7208794 0.85 LMNA (0.42) SMN1; SMN2MAPTLMNAKMT2AHTT

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