SCHEMBL13636742

SCHEMBL13636742

CC(C)(C)CC(=O)C1CCN(C(=O)c2ccccc2)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.60
KMT2A Q03164 3/20 0.60
ACHE P22303 1/20 0.59
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
MGLL Q99685 1/20 0.53
HSD11B1 P28845 1/20 0.53
HDAC3 O15379 1/20 0.52
HDAC4 P56524 1/20 0.52
HDAC1 Q13547 1/20 0.52
HDAC7 Q8WUI4 1/20 0.52
HDAC2 Q92769 1/20 0.52
HDAC10 Q969S8 1/20 0.52
HDAC11 Q96DB2 1/20 0.52
HDAC8 Q9BY41 1/20 0.52
HDAC6 Q9UBN7 1/20 0.52
HDAC9 Q9UKV0 1/20 0.52
HDAC5 Q9UQL6 1/20 0.52
EPHX1 P07099 1/20 0.51
L3MBTL3 Q96JM7 1/20 0.51

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
SCHEMBL24663619 0.84 ACHE (0.64) MEN1KMT2AACHEALDH1A1MGLL
SCHEMBL13152686 0.81 ACHE (0.64) MEN1KMT2AACHEHDAC3HDAC4
SCHEMBL7499151 0.81 ACHE (0.59) MEN1KMT2AACHEALDH1A1MGLL
SCHEMBL3455469 0.80 ACHE (0.68) MEN1KMT2AACHELMNAMGLL
SCHEMBL6973290 0.79 EPHX1 (0.61) MEN1KMT2AACHEALDH1A1LMNA
SCHEMBL13472207 0.79 ACHE (0.57) MEN1KMT2AACHEALDH1A1MGLL
SCHEMBL3614803 0.79 ACHE (0.70) MEN1KMT2AACHEALDH1A1MGLL
SCHEMBL13152826 0.78 ACHE (0.60) MEN1KMT2AACHEHDAC3HDAC4
SCHEMBL17963568 0.78 LMNA (0.42) MEN1KMT2AALDH1A1LMNAHSD11B1
SCHEMBL1673861 0.78 MAPT (0.73) MEN1KMT2AACHEMGLLHSD11B1

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
US-8304423-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-11-06 US disclosed
US-8304423-B2 Modulators of muscarinic receptors VERTEX PHARMACEUTICAL INCORPORATED (US) 2012-11-06 US disclosed