SCHEMBL479697

SCHEMBL479697

CCOC(=O)c1ccc2c(c1)NC(=O)/C2=C(/Nc1ccc(CN(CCOC)CCOC)cc1)c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.45
SMN1; SMN2 Q16637 5/20 0.42
NPC1 O15118 1/20 0.42
GAA P10253 1/20 0.42
RAB9A P51151 1/20 0.42
MAPT P10636 4/20 0.39
NAMPT P43490 1/20 0.39
MEN1 O00255 5/20 0.39
KMT2A Q03164 5/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
CETP P11597 3/20 0.39
ALDH1A1 P00352 3/20 0.39
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SENP1 Q9P0U3 1/20 0.37

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
SCHEMBL479699 1.00 RXFP1 (0.45) RXFP1SMN1; SMN2NPC1GAARAB9A
SCHEMBL479701 1.00 RXFP1 (0.45) RXFP1SMN1; SMN2NPC1GAARAB9A
SCHEMBL2567055 0.93 HDAC1 (0.41) RXFP1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL2567057 0.93 HDAC1 (0.41) RXFP1SMN1; SMN2NPC1RAB9AMAPT
SCHEMBL479732 0.93 RXFP1 (0.44) RXFP1SMN1; SMN2NPC1GAARAB9A
SCHEMBL479733 0.93 RXFP1 (0.44) RXFP1SMN1; SMN2NPC1GAARAB9A
SCHEMBL479735 0.93 RXFP1 (0.44) RXFP1SMN1; SMN2NPC1GAARAB9A
SCHEMBL480543 0.93 RXFP1 (0.45) RXFP1SMN1; SMN2NPC1GAARAB9A
SCHEMBL480545 0.93 RXFP1 (0.45) RXFP1SMN1; SMN2NPC1GAARAB9A
SCHEMBL479653 0.92 RXFP1 (0.44) RXFP1SMN1; SMN2NPC1GAARAB9A

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-2411034-A1 PROMOTION OF NEURONAL INTEGRATION IN NEURAL STEM CELL GRAFTS Life & Brain GmbH (DE) 2012-02-01 EP disclosed
WO-2010108665-A1 PROMOTION OF NEURONAL INTEGRATION IN NEURAL STEM CELL GRAFTS LIFE & BRAIN GMBH (DE) 2010-09-30 WO disclosed