SCHEMBL20002160

SCHEMBL20002160

CCOC(=O)C(=O)C1CCCN1C(=O)OC(C)(C)C

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.56
MEN1 O00255 3/20 0.56
HSD17B10 Q99714 2/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
LMNA P02545 1/20 0.50
NPSR1 Q6W5P4 1/20 0.50
NPC1 O15118 1/20 0.49
ALDH1A1 P00352 2/20 0.47
POLB P06746 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
KDM4E B2RXH2 1/20 0.44
GLA P06280 1/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
TSHR P16473 1/20 0.44
FKBP1A P62942 2/20 0.43

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
SCHEMBL9202983 0.86 KMT2A (0.54) KMT2AMEN1HSD17B10SMN1; SMN2LMNA
SCHEMBL1401256 0.86 FKBP1A (0.58) KMT2AMEN1HSD17B10SMN1; SMN2LMNA
SCHEMBL8223617 0.86 FKBP1A (0.58) KMT2AMEN1HSD17B10SMN1; SMN2LMNA
SCHEMBL440340 0.86 FKBP1A (0.58) KMT2AMEN1HSD17B10SMN1; SMN2LMNA
SCHEMBL28915732 0.84 KMT2A (0.55) KMT2AMEN1HSD17B10SMN1; SMN2LMNA
SCHEMBL28916508 0.84 KMT2A (0.55) KMT2AMEN1HSD17B10SMN1; SMN2LMNA
SCHEMBL28581241 0.84 KMT2A (0.55) KMT2AMEN1HSD17B10SMN1; SMN2LMNA
SCHEMBL21452369 0.83 KMT2A (0.60) KMT2AMEN1HSD17B10SMN1; SMN2LMNA
SCHEMBL28486352 0.83 KMT2A (0.60) KMT2AMEN1HSD17B10SMN1; SMN2LMNA
SCHEMBL24358344 0.82 FKBP1A (0.64) KMT2AMEN1HSD17B10SMN1; SMN2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2019112457-A1 DOPAMINE-Β-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2019-06-13 WO disclosed
WO-2018056854-A1 BLOOD-BRAIN BARRIER-PENETRANT DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2018-03-29 WO disclosed
WO-2018056855-A1 DOPAMINE-B-HYDROXYLASE INHIBITORS BIAL - PORTELA & Cª, S.A. (PT) 2018-03-29 WO disclosed