SCHEMBL3796572

SCHEMBL3796572

CCN(CC)C(CC(=O)O)n1cnc2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN3 Q9H6Z9 1/20 0.49
HPGD P15428 3/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
HDAC8 Q9BY41 1/20 0.47
APAF1 O14727 1/20 0.46
DNMT3A Q9Y6K1 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.43
ALDH1A1 P00352 3/20 0.42
MAPT P10636 2/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
KDM4E B2RXH2 1/20 0.42
TDP1 Q9NUW8 1/20 0.41
USP5 P45974 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL4064253 0.81 HPGD (0.50) EGLN3HPGDHSD17B10MEN1KMT2A
SCHEMBL8564908 0.80 HPGD (0.49) HPGDHSD17B10MEN1KMT2AHDAC8
SCHEMBL8853491 0.80 HPGD (0.56) EGLN3HPGDHSD17B10MEN1KMT2A
SCHEMBL2296208 0.76 HPGD (0.55) EGLN3HPGDHSD17B10MEN1KMT2A
SCHEMBL668254 0.75 ASAH1 (0.50) EGLN3HPGDHSD17B10MEN1KMT2A
SCHEMBL2295302 0.74 MEN1 (0.48) EGLN3HPGDHSD17B10MEN1KMT2A
SCHEMBL2297665 0.74 HDAC8 (0.61) EGLN3HPGDHSD17B10MEN1KMT2A
SCHEMBL2293973 0.74 HDAC8 (0.61) EGLN3HPGDHSD17B10MEN1KMT2A
SCHEMBL3795625 0.72 HDAC8 (0.55) EGLN3HPGDHSD17B10MEN1KMT2A
SCHEMBL30874960 0.72 USP5 (0.66) EGLN3HPGDHSD17B10MEN1KMT2A

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-2240485-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Takeda Pharmaceutical Company Limited (JP) 2010-10-20 EP disclosed
WO-2009093747-A1 TRICYCLIC COMPOUNDS HAVING CORTICOTROPIN-RELEASING FACTOR ANTAGONISTIC ACTIVITY AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-07-30 WO disclosed