SCHEMBL7127730

SCHEMBL7127730

CC(C)(C)OC(=O)NCC(=O)C1CN(c2cccc(CS(=O)(=O)C=C3CN(C(c4ccc(Cl)cc4)c4ccc(Cl)cc4)C3)c2)CCN1

nearest known ligand 0.35

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 2/20 0.35
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
NR1H3 Q13133 6/20 0.33
NR1H2 P55055 5/20 0.33
BCL9 O00512 4/20 0.31
CTNNB1 P35222 4/20 0.31
ACACB O00763 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
SCHEMBL6011688 0.84 KMT2A (0.41) FNTAFNTB
SCHEMBL7127732 0.84 ADRB1 (0.38) ADRB1FNTAFNTBNR1H3NR1H2
SCHEMBL6011783 0.78 HTT (0.44) NR1H3NR1H2
SCHEMBL6011680 0.76 HTR6 (0.45) ADRB1
SCHEMBL6011378 0.74 SMN1; SMN2 (0.42)
SCHEMBL6011571 0.74 LMNA (0.40)
SCHEMBL6011709 0.73 CYP3A4 (0.43)
SCHEMBL6011760 0.73 KMT2A (0.42)
SCHEMBL6011475 0.73 LMNA (0.44)
SCHEMBL7123726 0.72 TP53 (0.42)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1112251-B1 AZETIDINE DERIVATIVES, PREPARATION AND MEDICINES CONTAINING THEM AVENTIS PHARMA SA (FR) 2003-05-07 EP claimed