SCHEMBL7141682

SCHEMBL7141682

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 9/20 0.44
MAPT P10636 2/20 0.44
POLB P06746 1/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
HSD11B1 P28845 2/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HPGD P15428 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
LSS P48449 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41

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
SCHEMBL7143170 0.89 MGLL (0.43) MGLLMAPTPOLBMEN1KMT2A
SCHEMBL6448121 0.86 LSS (0.46) MGLLMAPTPOLBMEN1KMT2A
SCHEMBL7142436 0.85 LSS (0.46) MGLLLSS
SCHEMBL7139780 0.83 MGLL (0.46) MGLLMAPTPOLBMEN1KMT2A
SCHEMBL6448159 0.79 LSS (0.52) MGLLMAPTPOLBMEN1KMT2A
SCHEMBL5038776 0.78 LSS (0.45) MGLLMAPTPOLBMEN1KMT2A
SCHEMBL5040564 0.78 HRH3 (0.52) MGLLMAPTPOLBMEN1KMT2A
SCHEMBL7143062 0.78 LSS (0.46) MGLLMAPTPOLBMEN1KMT2A
SCHEMBL5043392 0.78 HRH3 (0.51) MGLLMAPTMEN1KMT2AHSD11B1
SCHEMBL5039302 0.78 HRH3 (0.48) MGLLMAPTPOLBMEN1KMT2A

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