SCHEMBL5870039

SCHEMBL5870039

CC(C)CC(C(=O)O)N(CCc1ccsc1)CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
MME P08473 2/20 0.38
PTGS1 P23219 1/20 0.38
PTGS2 P35354 1/20 0.38
SLC1A3 P43003 2/20 0.37
SLC1A2 P43004 2/20 0.37
SLC1A1 P43005 2/20 0.37
LNPEP Q9UIQ6 1/20 0.37
OPRM1 P35372 4/20 0.37
OPRK1 P41145 2/20 0.37
OPRD1 P41143 1/20 0.37
PTGES O14684 1/20 0.35
ALOX5 P09917 1/20 0.35
LTA4H P09960 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
NAMPT P43490 1/20 0.35
GRM2 Q14416 1/20 0.34
GRM3 Q14832 1/20 0.34

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
SCHEMBL5869876 0.80 CYP2C19 (0.42)
SCHEMBL5869881 0.77 SIGMAR1 (0.46) ALOX5
SCHEMBL5870171 0.74 KMT2A (0.37) PTGS1PTGS2SLC1A3SLC1A2SLC1A1
SCHEMBL8256609 0.73 LMNA (0.43)
SCHEMBL5869768 0.73 LMNA (0.43)
SCHEMBL3001700 0.69 DRD2 (0.47) DRD2DRD3SLC1A3SLC1A2SLC1A1
SCHEMBL7424015 0.68 GPR88 (0.42) MME
SCHEMBL7425475 0.68 DRD2 (0.40) DRD2DRD3SLC1A3SLC1A2SLC1A1
SCHEMBL13354820 0.68 DRD2 (0.41) DRD2DRD3SLC1A3SLC1A2SLC1A1
SCHEMBL16087980 0.67 TDP1 (0.50) DRD3SLC1A3SLC1A2

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
US-7045532-B2 ACE-2 modulating compounds and methods of use thereof MILLENNIUM PHARMACEUTICALS, INC. (US) 2006-05-16 US disclosed
US-6632830-B1 Blood pressure related disease or disorder, cell proliferation disorder, kidney disorder, kinetensin associated disorder, inflammation associated disorder, or an allergic disorder MILLENNIUM PHARMACEUTICALS, INC. 2003-10-14 US disclosed