SCHEMBL13844751

SCHEMBL13844751

CC(=O)N[C@H]1CC2C[C@@H](C1)N2Cc1ccc(Cc2nc3ccccc3s2)cc1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CXCR6 O00574 3/20 0.51
KMT2A Q03164 2/20 0.51
MEN1 O00255 1/20 0.51
LTA4H P09960 8/20 0.51
KCNH2 Q12809 3/20 0.50
USP2 O75604 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C19 P33261 1/20 0.41
OPRK1 P41145 1/20 0.41

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
SCHEMBL1905810 0.95 KMT2A (0.58) CXCR6KMT2AMEN1LTA4HKCNH2
SCHEMBL12240838 0.95 KMT2A (0.58) CXCR6KMT2AMEN1LTA4HKCNH2
SCHEMBL12222541 0.95 KMT2A (0.58) CXCR6KMT2AMEN1LTA4HKCNH2
SCHEMBL12222587 0.85 CXCR6 (0.53) CXCR6KMT2AMEN1LTA4HL3MBTL1
SCHEMBL1902462 0.85 CXCR6 (0.53) CXCR6KMT2AMEN1LTA4HL3MBTL1
SCHEMBL1906229 0.82 LTA4H (0.61) CXCR6KMT2AMEN1LTA4HKCNH2
SCHEMBL12222773 0.82 LTA4H (0.61) CXCR6KMT2AMEN1LTA4HKCNH2
SCHEMBL12677338 0.81 LTA4H (0.54) CXCR6LTA4HKCNH2CYP1A2CYP2C19
SCHEMBL23111727 0.81 LTA4H (0.73) CXCR6KMT2AMEN1LTA4HKCNH2
SCHEMBL23111728 0.81 LTA4H (0.73) CXCR6KMT2AMEN1LTA4HKCNH2

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-2009058347-A1 ARYL-SUBSTITUTED BRIDGED OR FUSED DIAMINES AS MODULATORS OF LEUKOTRIENE A4 HYDROLASE JANSSEN PHARMACEUTICA N.V. (BE) 2009-05-07 WO disclosed