SCHEMBL6512010

SCHEMBL6512010

Cc1csc(CN(CCC(=O)O)Cc2cccc(Cc3ccccc3)c2)c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 2/20 0.42
MTNR1A P48039 1/20 0.38
MTNR1B P49286 1/20 0.38
LTA4H P09960 3/20 0.38
MEP1B Q16820 2/20 0.38
HDAC3 O15379 2/20 0.37
HDAC1 Q13547 2/20 0.37
HDAC2 Q92769 2/20 0.37
HDAC8 Q9BY41 2/20 0.37
NCOR2 Q9Y618 2/20 0.37
FFAR1 O14842 1/20 0.37
MAOA P21397 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
MEN1 O00255 1/20 0.36
MAPT P10636 1/20 0.36
KMT2A Q03164 1/20 0.36
PTPN1 P18031 1/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
KDM4E B2RXH2 1/20 0.35

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
SCHEMBL6508460 0.86 HTR2C (0.36) LTB4RMEP1BHDAC3HDAC1HDAC2
SCHEMBL6511525 0.85 LTB4R (0.40) LTB4RMEP1BFFAR1BCHE
SCHEMBL6511901 0.85 TSHR (0.49) FFAR1TSHR
SCHEMBL6512357 0.85 TAS2R14 (0.43) MTNR1AMTNR1BLTA4HMEP1BHDAC3
SCHEMBL6511823 0.85 LTB4R (0.40) LTB4RMTNR1AMTNR1BLTA4HMEP1B
SCHEMBL6509240 0.84 PPARA (0.41) LTB4RFFAR1
SCHEMBL6511514 0.84 OPRM1 (0.37) LTB4RMEP1BFFAR1MEN1MAPT
SCHEMBL6512519 0.84 POLB (0.50) LTB4RLTA4HHDAC3HDAC1HDAC2
SCHEMBL6511023 0.84 HDAC3 (0.40) LTB4RMTNR1AMTNR1BLTA4HMEP1B
SCHEMBL6511657 0.84 HDAC3 (0.50) MTNR1AMTNR1BLTA4HMEP1BHDAC3

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
WO-2005097100-A2 ANTIBACTERIAL AGENTS PROLYSIS LTD. (GB) 2005-10-20 WO disclosed