SCHEMBL5204553

SCHEMBL5204553

COc1ccccc1N1CCN(C(=O)CN(C(=O)c2ccc(-c3ccccc3)cc2)c2ccc(Cl)cc2Oc2cccc(CNC(=O)OC(C)(C)C)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
TACR1 P25103 6/20 0.42
KMT2A Q03164 4/20 0.41
LMNA P02545 4/20 0.41
USP2 O75604 1/20 0.41
MEN1 O00255 3/20 0.41
POLB P06746 2/20 0.41
DRD2 P14416 4/20 0.40
DRD3 P35462 2/20 0.40
MAPK1 P28482 1/20 0.40
MAPT P10636 2/20 0.40
DRD4 P21917 1/20 0.39
SMN1; SMN2 Q16637 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
Hydrochloric Acid SCHEMBL5205390 0.88 KMT2A (0.45) TACR1KMT2ALMNAUSP2MEN1
SCHEMBL5207637 0.85 HDAC1 (0.44)
SCHEMBL5204545 0.85 KMT2A (0.41) TACR1KMT2ALMNAUSP2MEN1
SCHEMBL5208785 0.82 PPARG (0.41)
SCHEMBL5201617 0.82 HDAC1 (0.44)
SCHEMBL5204846 0.80 HDAC1 (0.42)
SCHEMBL5205558 0.80 HDAC1 (0.42)
SCHEMBL5205723 0.79 HDAC1 (0.41)
SCHEMBL5201675 0.78 PPARG (0.40)
SCHEMBL5205929 0.77 PPARG (0.40) MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7160887-B1 Aromatic amine derivatives, their production and use TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2007-01-09 US disclosed
EP-1123918-B1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME TAKEDA PHARMACEUTICAL (JP) 2005-03-09 EP disclosed
EP-1123918-A1 AROMATIC AMINE DERIVATIVES, PROCESS FOR THE PREPARATION THEREOF AND AGENTS CONTAINING THE SAME Takeda Chemical Industries, Ltd. (JP) 2001-08-16 EP disclosed