SCHEMBL3663276

SCHEMBL3663276

CN(C)c1c(F)cccc1CC1CCC(NC(=O)COC2CCN(S(=O)(=O)c3ccc(Cl)cc3)C2)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.41
MEN1 O00255 4/20 0.41
MAPT P10636 2/20 0.38
LMNA P02545 1/20 0.38
HTT P42858 1/20 0.38
PKM P14618 3/20 0.38
NPY1R P25929 1/20 0.38
NPY2R P49146 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
POLB P06746 2/20 0.37
SMN1; SMN2 Q16637 2/20 0.37
GAA P10253 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HTR1A P08908 1/20 0.36
DRD2 P14416 1/20 0.36
DRD1 P21728 1/20 0.36
DRD4 P21917 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
DRD3 P35462 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
SCHEMBL493760 0.79 PKM (0.37) KMT2AMEN1LMNAPKMPOLB
SCHEMBL492967 0.78 KMT2A (0.42) KMT2AMEN1MAPTLMNAHTT
SCHEMBL492814 0.77 PKM (0.44) KMT2AMEN1MAPTLMNAHTT
SCHEMBL3660998 0.77 ALDH1A1 (0.40) KMT2AMEN1MAPTLMNAHTT
SCHEMBL493066 0.74 RAB9A (0.39) KMT2AMEN1MAPTLMNAPKM
SCHEMBL493342 0.72 PKM (0.48) KMT2AMEN1LMNAPKMPOLB
SCHEMBL493323 0.72 PKM (0.46) KMT2AMEN1MAPTPKMPOLB
SCHEMBL492826 0.72 PKM (0.44) KMT2AMEN1MAPTLMNAHTT
SCHEMBL492646 0.72 ALDH1A1 (0.41) KMT2AMEN1MAPTLMNAPOLB
SCHEMBL493569 0.71 PKM (0.42) KMT2AMEN1MAPTLMNAPKM

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP claimed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO claimed
EP-2139851-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-01-06 EP disclosed
WO-2008131946-A2 SUBSTITUTED AMIDE DERIVATIVES Grünenthal GmbH (DE) 2008-11-06 WO disclosed