SCHEMBL4757779

SCHEMBL4757779

CCOC(=O)CC(=O)NNC(=O)c1cc(Cl)cc(N2CCN(C)CC2)c1

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 8/20 0.44
HDAC8 Q9BY41 8/20 0.44
DDR1 Q08345 3/20 0.43
HRH4 Q9H3N8 1/20 0.42
MGLL Q99685 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
WDR5 P61964 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39

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
SCHEMBL4755128 0.88 MAPK14 (0.44) DDR1MGLLMEN1KMT2ASMN1; SMN2
SCHEMBL4758264 0.83 WDR91 (0.40) DDR1MGLLMEN1KMT2ASMN1; SMN2
SCHEMBL4756997 0.80 MEN1 (0.48) MEN1KMT2AWDR5LMNAMAPK1
SCHEMBL4758284 0.78 SMN1; SMN2 (0.47) MEN1KMT2ASMN1; SMN2
SCHEMBL4755079 0.78 DDR1 (0.47) HDAC3HDAC8DDR1KMT2ALMNA
SCHEMBL4758236 0.76 DDR1 (0.34) DDR1
SCHEMBL4755723 0.73 CSF1R (0.48) DDR1LMNA
SCHEMBL4755065 0.72 KAT6A (0.39) MEN1KMT2ASMN1; SMN2LMNAMAPK1
SCHEMBL545939 0.72 TPMT (0.52) MEN1KMT2ASMN1; SMN2LMNA
SCHEMBL1482084 0.72 BCL2A1 (0.44) DDR1MEN1KMT2ASMN1; 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009000819-A1 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-31 WO disclosed
WO-2009000819-A1 5-PHENYL-1,3,4-OXADIAZOL-2-YL-ACETYL-4-PIPERIDINYL DERIVATIVES AS CGRP RECEPTOR ANTAGONISTS GLAXO GROUP LIMITED (GB) 2008-12-31 WO disclosed