SCHEMBL19634646

SCHEMBL19634646

CC(=O)NCc1cccc(C(=O)N2CCN(CCOC(=O)CO)CC2)c1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 4/20 0.49
DRD2 P14416 3/20 0.49
KCNA5 P22460 4/20 0.46
MEN1 O00255 4/20 0.45
KMT2A Q03164 4/20 0.45
PARP1 P09874 3/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
POLB P06746 1/20 0.43
KCNH2 Q12809 1/20 0.43
ACACB O00763 1/20 0.41
LDHA P00338 1/20 0.41
PDE3B Q13370 1/20 0.41
PDE3A Q14432 1/20 0.41

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
SCHEMBL21015339 0.89 DRD3 (0.47) DRD3DRD2KCNA5MEN1KMT2A
SCHEMBL19634640 0.84 LMNA (0.53) MEN1KMT2APARP1LMNATSHR
SCHEMBL19634466 0.81 MEN1 (0.48) DRD3DRD2MEN1KMT2APARP1
SCHEMBL21015336 0.81 DRD3 (0.46) DRD3DRD2KCNA5MEN1KMT2A
SCHEMBL21015337 0.80 DRD3 (0.48) DRD3DRD2KCNA5MEN1KMT2A
SCHEMBL19634467 0.79 MEN1 (0.46) MEN1KMT2APARP1LMNATSHR
SCHEMBL19634645 0.78 LMNA (0.50) MEN1KMT2APARP1LMNATSHR
SCHEMBL21015338 0.76 DRD3 (0.50) DRD3DRD2KCNA5MEN1KMT2A
SCHEMBL19634642 0.76 DRD3 (0.50) DRD3DRD2KCNA5MEN1KMT2A
SCHEMBL19634720 0.76 LMNA (0.48) MEN1KMT2APARP1LMNATSHR

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
WO-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 WO disclosed