SCHEMBL2635543

SCHEMBL2635543

CN(C)C(=O)COc1cc(CN)ccc1NC(=O)COc1ccc(C(=O)O)c2cc(Cl)cc(Cl)c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPM4 Q8TD43 4/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
POLB P06746 2/20 0.41
G6PD P11413 1/20 0.41
MAPT P10636 5/20 0.40
RAB9A P51151 3/20 0.40
NPC1 O15118 2/20 0.40
MAPK10 P53779 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 2/20 0.38
ALDH1A1 P00352 2/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
NOD2 Q9HC29 1/20 0.38
TP53 P04637 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
SCHEMBL2635601 0.83 POLB (0.42) TRPM4SMN1; SMN2CYP1A2CYP2C19POLB
SCHEMBL2636125 0.73 POLB (0.44) TRPM4SMN1; SMN2CYP1A2CYP2C19POLB
SCHEMBL2636308 0.73 POLB (0.45) TRPM4SMN1; SMN2CYP1A2CYP2C19POLB
SCHEMBL2636150 0.71 SMN1; SMN2 (0.41) TRPM4SMN1; SMN2CYP1A2CYP2C19POLB
SCHEMBL2636709 0.70 POLB (0.48) TRPM4SMN1; SMN2CYP1A2CYP2C19POLB
SCHEMBL2635666 0.67 POLB (0.43) TRPM4SMN1; SMN2CYP1A2CYP2C19POLB
SCHEMBL2635609 0.65 MEN1 (0.36) SMN1; SMN2POLBMAPTRAB9ANPC1
SCHEMBL4675125 0.65 POLB (0.52) TRPM4SMN1; SMN2POLBMAPTNPC1
SCHEMBL2635495 0.64 NPC1 (0.48) TRPM4SMN1; SMN2CYP1A2CYP2C19POLB
SCHEMBL2636032 0.64 POLB (0.44) TRPM4SMN1; SMN2CYP1A2CYP2C19POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2438037-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2012-04-11 EP claimed
WO-2010139481-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 WO claimed
EP-2438037-A1 GLYCINE B ANTAGONISTS Merz Pharma GmbH & Co. KGaA (DE) 2012-04-11 EP disclosed
WO-2010139481-A1 GLYCINE B ANTAGONISTS MERZ PHARMA GMBH & CO. KGAA (DE) 2010-12-09 WO disclosed