SCHEMBL19634644

SCHEMBL19634644

COCC(=O)OCCN1CCN(C(=O)c2cccc(CN)c2)CC1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD3 P35462 7/20 0.53
DRD2 P14416 5/20 0.53
KCNA5 P22460 5/20 0.47
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
LMNA P02545 1/20 0.46
TSHR P16473 1/20 0.46
MAPK1 P28482 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
POLB P06746 1/20 0.45
KCNH2 Q12809 1/20 0.44
LOXL2 Q9Y4K0 1/20 0.44
PARP1 P09874 1/20 0.44
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 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
SCHEMBL19634739 0.89 DRD3 (0.55) DRD3DRD2KCNA5
SCHEMBL19634643 0.87 DRD3 (0.52) DRD3DRD2KCNA5MEN1KMT2A
SCHEMBL21015337 0.83 DRD3 (0.48) DRD3DRD2KCNA5MEN1KMT2A
SCHEMBL19634709 0.81 MEN1 (0.56) DRD3DRD2MEN1KMT2ALMNA
SCHEMBL19634724 0.80 LOXL2 (0.53) DRD3DRD2MEN1KMT2ALMNA
SCHEMBL19634706 0.79 PARP1 (0.58) MEN1KMT2ALMNATSHRMAPK1
SCHEMBL2322582 0.78 SMN1; SMN2 (0.57) MEN1KMT2ALMNATSHRMAPK1
SCHEMBL19634743 0.78 MEN1 (0.52) DRD3DRD2MEN1KMT2ALMNA
SCHEMBL19634738 0.76 DRD3 (0.52) DRD3DRD2KCNA5MEN1KMT2A
SCHEMBL19634649 0.76 MEN1 (0.50) DRD3DRD2MEN1KMT2ALMNA

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