SCHEMBL7127732

SCHEMBL7127732

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

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADRB1 P08588 4/20 0.38
FNTA P49354 1/20 0.34
FNTB P49356 1/20 0.34
NR1H3 Q13133 8/20 0.33
NR1H2 P55055 8/20 0.33
ACACB O00763 1/20 0.31
PPARA Q07869 2/20 0.31
DDB1 Q16531 1/20 0.30
CRBN Q96SW2 1/20 0.30
DRD2 P14416 1/20 0.30

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
SCHEMBL6011689 0.84 KMT2A (0.44) FNTAFNTB
SCHEMBL7127730 0.84 ADRB1 (0.35) ADRB1FNTAFNTBNR1H3NR1H2
SCHEMBL6011781 0.78 GPR119 (0.44) NR1H3NR1H2
SCHEMBL6647263 0.76 HTR2C (0.36) NR1H3NR1H2
SCHEMBL5075648 0.76 HTR6 (0.46) ADRB1
SCHEMBL5077591 0.74 ALDH1A1 (0.41)
SCHEMBL6011570 0.74 TP53 (0.42)
SCHEMBL6011375 0.73 SMN1; SMN2 (0.43)
SCHEMBL5078902 0.73 KMT2A (0.49)
SCHEMBL6648472 0.73 HTR2C (0.37)

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