SCHEMBL17328592

SCHEMBL17328592

O=C(N1CCN(c2cccc(C(F)(F)F)c2)CC1)C1(O)CCN(c2ccccc2)C1=O

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 5/20 0.55
HTT P42858 2/20 0.55
TSHR P16473 3/20 0.55
NPSR1 Q6W5P4 1/20 0.55
L3MBTL1 Q9Y468 1/20 0.55
KMT2A Q03164 4/20 0.53
MEN1 O00255 2/20 0.53
MAPK1 P28482 1/20 0.53
ALDH1A1 P00352 3/20 0.52
MAPT P10636 2/20 0.52
HPGD P15428 1/20 0.52
TRPV1 Q8NER1 1/20 0.52
POLB P06746 4/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
THRB P10828 1/20 0.48
KDM4E B2RXH2 1/20 0.48

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
SCHEMBL15374625 1.00 LMNA (0.55) LMNAHTTTSHRNPSR1L3MBTL1
SCHEMBL17328698 0.82 HDAC11 (0.52) LMNAHTTKMT2AMEN1
SCHEMBL17328699 0.82 HDAC11 (0.52) LMNAHTTKMT2AMEN1
SCHEMBL17328696 0.82 HDAC11 (0.52) LMNAHTTKMT2AMEN1
SCHEMBL15374623 0.78 METAP2 (0.55) LMNATSHRNPSR1KMT2AMEN1
SCHEMBL17328440 0.78 METAP2 (0.55) LMNATSHRNPSR1KMT2AMEN1
SCHEMBL17328693 0.77 METAP2 (0.54) MAPK1ALDH1A1
SCHEMBL15374610 0.77 METAP2 (0.54) MAPK1ALDH1A1
SCHEMBL17328599 0.76 METAP2 (0.56) KMT2AMEN1
SCHEMBL15374609 0.76 METAP2 (0.56) KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2627631-B1 PYRROLIDINONES AS METAP2 INHIBITORS MERCK PATENT GMBH (DE) 2015-12-16 EP claimed