SCHEMBL7424495

SCHEMBL7424495

CC(C)CC(C(=O)O)N(CCc1ccc(-c2ccccn2)cc1)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.43
CA12 O43570 5/20 0.40
CA1 P00915 5/20 0.40
CA2 P00918 5/20 0.40
CA5A P35218 5/20 0.40
CA9 Q16790 5/20 0.40
CA5B Q9Y2D0 5/20 0.40
CTSL P07711 1/20 0.40
CTSK P43235 1/20 0.40
GPR88 Q9GZN0 1/20 0.40
FAAH O00519 1/20 0.39
CES1 P23141 1/20 0.39
BRS3 P32247 3/20 0.39
SLC6A9 P48067 1/20 0.38
FFAR1 O14842 1/20 0.38
NR1I2 O75469 1/20 0.38
NMBR P28336 1/20 0.38
GRPR P30550 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL7421708 0.84 ABL1 (0.36) FAAHCES1FFAR1
SCHEMBL7420011 0.83 SMN1; SMN2 (0.39) FAAHBRS3
SCHEMBL7427409 0.83 MMP12 (0.46) CTSLCTSKGPR88
SCHEMBL7420384 0.83 MMP12 (0.46) CTSLCTSKGPR88
SCHEMBL7378945 0.83 MEN1 (0.48)
SCHEMBL7377698 0.82 CYP1A2 (0.47)
SCHEMBL7425766 0.80 PSMB5 (0.49) CTSLCTSKGPR88
SCHEMBL7424092 0.80 PSMB5 (0.49) CTSLCTSKGPR88
SCHEMBL7424796 0.79 HPGD (0.38) GPR88FFAR1
SCHEMBL7425601 0.78 MCHR1 (0.50) GPR88

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO claimed
WO-2002039997-A2 ACE-2 MODULATING COMPOUNDS AND USE THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2002-05-23 WO disclosed