SCHEMBL6532234

SCHEMBL6532234

NC(CCc1ccccn1)CC(=O)O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.51
CYP1A2 P05177 2/20 0.51
CYP2C19 P33261 1/20 0.51
PTPRA P18433 1/20 0.47
HRH1 P35367 2/20 0.47
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45
S1PR2 O95136 1/20 0.44
S1PR1 P21453 1/20 0.44
LTA4H P09960 1/20 0.43
SLC1A5 Q15758 1/20 0.43
DPP4 P27487 1/20 0.42
NPC1 O15118 1/20 0.42
LMNA P02545 1/20 0.42
RAB9A P51151 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
SCHEMBL288718 0.84 PTPRA (0.58) SMN1; SMN2CYP1A2CYP2C19PTPRAHRH1
SCHEMBL30428132 0.81 SLC1A5 (0.56) SMN1; SMN2CYP1A2CYP2C19PTPRAHRH1
SCHEMBL1176394 0.81 SLC1A5 (0.56) SMN1; SMN2CYP1A2CYP2C19PTPRAHRH1
SCHEMBL1768948 0.81 SLC1A5 (0.56) SMN1; SMN2CYP1A2CYP2C19PTPRAHRH1
SCHEMBL11570903 0.79 SMN1; SMN2 (0.46) SMN1; SMN2CYP1A2CYP2C19PTPRAHRH1
SCHEMBL8458982 0.78 HRH1 (0.60) SMN1; SMN2CYP1A2CYP2C19HRH1GRIN2D
SCHEMBL7075416 0.78 PTPRA (0.59) SMN1; SMN2CYP1A2CYP2C19PTPRAHRH1
SCHEMBL8507957 0.78 KDM4E (0.57) SMN1; SMN2CYP1A2PTPRANPC1LMNA
SCHEMBL14795518 0.78 HRH1 (0.50) SMN1; SMN2CYP1A2CYP2C19PTPRAHRH1
SCHEMBL7205140 0.77 PTPRA (0.57) SMN1; SMN2CYP1A2CYP2C19PTPRAHRH1

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-2005030735-A1 TRIAZINES DERIVATIVES AS CELL ADHESION INHIBITORS RANBAXY LABORATORIES LIMITED (IN) 2005-04-07 WO claimed