SCHEMBL19634701

SCHEMBL19634701

CC(=O)NCCN1CCN(C(=O)c2ccc(CN)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.52
MEN1 O00255 4/20 0.52
ALDH1A1 P00352 3/20 0.51
LMNA P02545 2/20 0.51
PKM P14618 1/20 0.51
MAPT P10636 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
DRD2 P14416 2/20 0.48
HRH3 Q9Y5N1 1/20 0.46
KCNH2 Q12809 1/20 0.46
POLB P06746 1/20 0.45
DRD3 P35462 2/20 0.45

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
SCHEMBL23471208 0.88 KMT2A (0.61) KMT2AMEN1ALDH1A1LMNAPKM
SCHEMBL19634465 0.88 KMT2A (0.50) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL21015490 0.82 KMT2A (0.60) KMT2AMEN1ALDH1A1LMNAPKM
SCHEMBL19634400 0.81 ALDH1A1 (0.62) KMT2AMEN1ALDH1A1DRD2HRH3
SCHEMBL19634640 0.79 LMNA (0.53) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL2377726 0.79 HRH3 (0.64) KMT2AMEN1LMNASMN1; SMN2HRH3
SCHEMBL8144500 0.78 GRM5 (0.49) KMT2AMEN1ALDH1A1LMNAPKM
SCHEMBL19634410 0.76 DRD2 (0.50) KMT2AMEN1ALDH1A1LMNAMAPT
SCHEMBL19634422 0.75 MEN1 (0.49) KMT2AMEN1ALDH1A1LMNASMN1; SMN2
SCHEMBL19634722 0.75 NAMPT (0.55) KMT2AMEN1ALDH1A1LMNAMAPT

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