SCHEMBL5817698

SCHEMBL5817698

CCOC(=O)CCCNC(=O)Cn1cc(C=C2C(=O)Nc3ccccc32)c2ccccc21

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 11/20 0.58
MEN1 O00255 8/20 0.55
MAPT P10636 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
NPSR1 Q6W5P4 2/20 0.55
POLB P06746 1/20 0.55
DHFR P00374 3/20 0.54
L3MBTL1 Q9Y468 1/20 0.53
CRHBP P24387 2/20 0.51
CRHR2 Q13324 2/20 0.51
NTRK1 P04629 1/20 0.50
MAP3K5 Q99683 1/20 0.50
SYK P43405 3/20 0.48
FCER2 P06734 2/20 0.48
ALDH1A1 P00352 1/20 0.46

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
SCHEMBL5816953 0.97 KMT2A (0.56) KMT2AMEN1MAPTSMN1; SMN2NPSR1
SCHEMBL5817670 0.93 KMT2A (0.63) KMT2AMEN1MAPTSMN1; SMN2NPSR1
Acetamide SCHEMBL5824181 0.89 KMT2A (0.59) KMT2AMEN1MAPTSMN1; SMN2NPSR1
Acetamide SCHEMBL5824177 0.89 KMT2A (0.59) KMT2AMEN1MAPTSMN1; SMN2NPSR1
SCHEMBL5482789 0.87 KMT2A (0.66) KMT2AMEN1MAPTSMN1; SMN2NPSR1
SCHEMBL5482792 0.87 KMT2A (0.66) KMT2AMEN1MAPTSMN1; SMN2NPSR1
SCHEMBL5469474 0.85 DHFR (0.63) KMT2AMEN1MAPTSMN1; SMN2NPSR1
SCHEMBL5469468 0.85 DHFR (0.63) KMT2AMEN1MAPTSMN1; SMN2NPSR1
SCHEMBL5824119 0.85 KMT2A (0.80) KMT2AMEN1MAPTSMN1; SMN2NPSR1
SCHEMBL5824116 0.85 KMT2A (0.80) KMT2AMEN1MAPTSMN1; SMN2NPSR1

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
WO-2006105796-A1 NOVEL INDOLINONE DERIVATIVES LEO PHARMA A/S (DK) 2006-10-12 WO claimed
EP-1732893-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST Pfizer Japan, Inc. (JP) 2006-12-20 EP disclosed
WO-2006105796-A1 NOVEL INDOLINONE DERIVATIVES LEO PHARMA A/S (DK) 2006-10-12 WO disclosed
WO-2005092858-A2 ALPHA ARYL OR HETEROARYL METHYL BETA PIPERIDINO PROPANAMIDE COMPOUNDS AS ORL1-RECEPTOR ANTAGONIST PFIZER JAPAN INC. (JP) 2005-10-06 WO disclosed