SCHEMBL7143170

SCHEMBL7143170

CCN(CC#CCC1CCN(C(=O)c2ccc(Cl)cc2)CC1)CCOC

nearest known ligand 0.43

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 5/20 0.43
HRH3 Q9Y5N1 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
MAPT P10636 2/20 0.42
POLB P06746 2/20 0.39
KCNA5 P22460 1/20 0.39
DRD3 P35462 1/20 0.39
DRD2 P14416 1/20 0.39
ALDH1A1 P00352 1/20 0.39
LMNA P02545 1/20 0.39
HPGD P15428 1/20 0.39
HSD11B1 P28845 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
LSS P48449 1/20 0.39

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
SCHEMBL7141682 0.89 MGLL (0.44) MGLLHRH3MEN1KMT2AMAPT
SCHEMBL7139780 0.81 MGLL (0.46) MGLLMEN1KMT2AMAPTPOLB
SCHEMBL6451178 0.80 LSS (0.44) MGLLHRH3MEN1KMT2AMAPT
SCHEMBL7142436 0.77 LSS (0.46) MGLLLSS
SCHEMBL7143062 0.76 LSS (0.46) MGLLMEN1KMT2AMAPTPOLB
SCHEMBL6448121 0.76 LSS (0.46) MGLLHRH3MEN1KMT2AMAPT
SCHEMBL5038776 0.74 LSS (0.45) MGLLHRH3MEN1KMT2AMAPT
SCHEMBL5040564 0.72 HRH3 (0.52) MGLLHRH3MEN1KMT2AMAPT
SCHEMBL5043392 0.71 HRH3 (0.51) MGLLHRH3MEN1KMT2AMAPT
SCHEMBL5039302 0.71 HRH3 (0.48) MGLLHRH3MEN1KMT2AMAPT

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-1317432-A1 PIPERIDINE DERIVATIVES FOR USE AS 2,3-OXIDOSQUALENE-LANOSTEROL CYCLASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2003-06-11 EP disclosed
WO-2002020483-A1 PIPERIDINE DERIVATIVES FOR USE 2,3-OXIDOSQUALENE-LANOSTEROL CYCLASE INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2002-03-14 WO disclosed