SCHEMBL5205373

SCHEMBL5205373

CC(C)(C)OC(=O)C(N)c1cccc(Oc2cc(Cl)ccc2N(Cc2ccc(O)cc2)C(=O)CCC(=O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSPO P30536 1/20 0.40
FDFT1 P37268 5/20 0.38
FFAR1 O14842 2/20 0.32
CNR1 P21554 2/20 0.31
P2RX4 Q99571 1/20 0.31
CNR2 P34972 1/20 0.31
MDM2 Q00987 1/20 0.31

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
SCHEMBL5208118 0.92 FDFT1 (0.39) TSPOFDFT1FFAR1MDM2
SCHEMBL5205377 0.82 PPARG (0.40) TSPOFDFT1
SCHEMBL5203510 0.76 PPARG (0.39) TSPOFDFT1MDM2
SCHEMBL5205254 0.75 TSPO (0.38) TSPOFDFT1
SCHEMBL5202185 0.74 NR4A2 (0.39) FFAR1P2RX4
SCHEMBL5204994 0.71 ALDH1A1 (0.40) TSPOP2RX4
SCHEMBL5204545 0.67 KMT2A (0.41)
Hydrochloric Acid SCHEMBL5201776 0.67 AHCY (0.39) TSPOCNR1P2RX4
SCHEMBL5208000 0.66 HDAC1 (0.44) TSPOFFAR1
SCHEMBL27559984 0.66 SLC7A5 (0.43) FFAR1

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