SCHEMBL1123465

SCHEMBL1123465

COC(=O)CCN(Cc1ccc(Br)cc1)C(=O)c1cccc(OCCN(Cc2ccccc2)Cc2ccccc2)c1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 3/20 0.51
MEP1B Q16820 3/20 0.46
LPAR1 Q92633 4/20 0.45
HDAC1 Q13547 2/20 0.45
HDAC6 Q9UBN7 2/20 0.45
F10 P00742 1/20 0.44
PPARG P37231 1/20 0.43
NR1H3 Q13133 1/20 0.43
KMT2A Q03164 1/20 0.43
LPAR5 Q9H1C0 1/20 0.42
MAOA P21397 1/20 0.42
MAOB P27338 1/20 0.42
LTA4H P09960 1/20 0.42

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
SCHEMBL1123247 0.92 SLC2A1 (0.47) SLC2A1MEP1BLPAR1HDAC1HDAC6
SCHEMBL1122881 0.91 LPAR1 (0.45) SLC2A1MEP1BLPAR1HDAC1HDAC6
SCHEMBL1123244 0.90 LPAR1 (0.52) SLC2A1MEP1BLPAR1F10PPARG
SCHEMBL1122983 0.89 NR4A1 (0.46) SLC2A1MEP1BLPAR1HDAC1HDAC6
SCHEMBL1122385 0.84 PPARG (0.47) SLC2A1MEP1BLPAR1HDAC1HDAC6
SCHEMBL1123395 0.84 F10 (0.51) MEP1BLPAR1HDAC1HDAC6F10
SCHEMBL1122959 0.84 LPAR1 (0.54) SLC2A1LPAR1HDAC1HDAC6LPAR5
SCHEMBL1122692 0.83 LPAR1 (0.55) SLC2A1LPAR1HDAC1HDAC6PPARG
SCHEMBL1122912 0.83 LPAR1 (0.49) SLC2A1MEP1BLPAR1F10PPARG
SCHEMBL1123557 0.83 PTGES (0.52) SLC2A1F10PPARGKMT2AMAOB

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-1644321-B1 NEW BENZAMIDES AS PPATY MODULATORS S A L V A T LAB SA (ES) 2011-02-09 EP disclosed