SCHEMBL15520799

SCHEMBL15520799

C[C@@H](NC1CCN(C(=O)O)CC1)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.63
L3MBTL1 Q9Y468 1/20 0.63
TEAD1 P28347 2/20 0.51
EPHX1 P07099 3/20 0.48
LMNA P02545 1/20 0.48
RECQL P46063 1/20 0.48
NPC1 O15118 1/20 0.44
HTT P42858 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
TP53 P04637 1/20 0.44
GHSR Q92847 1/20 0.44
CNR1 P21554 1/20 0.44
CNR2 P34972 1/20 0.44
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44

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
SCHEMBL14964846 0.94 GAA (0.65) GAAL3MBTL1TEAD1EPHX1LMNA
SCHEMBL5527608 0.94 GAA (0.65) GAAL3MBTL1TEAD1EPHX1LMNA
SCHEMBL14964842 0.94 GAA (0.65) GAAL3MBTL1TEAD1EPHX1LMNA
SCHEMBL30672690 0.91 GAA (0.55) GAAL3MBTL1TEAD1EPHX1LMNA
SCHEMBL16217914 0.82 GAA (0.60) GAAL3MBTL1TEAD1EPHX1LMNA
SCHEMBL4214716 0.82 GAA (0.69) GAAL3MBTL1KCNH2HRH3
SCHEMBL664938 0.81 GAA (0.85) GAAL3MBTL1EPHX1LMNARECQL
SCHEMBL27818229 0.81 GAA (0.85) GAAL3MBTL1EPHX1LMNARECQL
SCHEMBL510133 0.79 GAA (0.44) GAAL3MBTL1EPHX1LMNARECQL
SCHEMBL14342621 0.78 L3MBTL1 (0.57) GAAL3MBTL1EPHX1NPC1HTT

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
EP-2892899-A1 IMIDAZOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES Bristol-Myers Squibb Company (US) 2015-07-15 EP disclosed
WO-2014039595-A1 IMIDAZOPYRIDAZINE JAK3 INHIBITORS AND THEIR USE FOR THE TREATMENT OF INFLAMMATORY AND AUTOIMMUNE DISEASES BRISTOL-MYERS SQUIBB COMPANY (US) 2014-03-13 WO disclosed