SCHEMBL19634458

SCHEMBL19634458

COC(=O)CN1CCN(C(=O)c2ccc(CNC(C)=O)cc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.48
DRD2 P14416 3/20 0.47
MAPK8 P45983 1/20 0.46
MAPK10 P53779 1/20 0.46
MEN1 O00255 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
ALDH1A1 P00352 3/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
MAPT P10636 2/20 0.45
LMNA P02545 1/20 0.45
POLB P06746 1/20 0.45
RAB9A P51151 1/20 0.45
DRD3 P35462 3/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
HTR2B P41595 1/20 0.44
MCL1 Q07820 1/20 0.43
CYP2C19 P33261 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
SCHEMBL23471231 0.87 KMT2A (0.54) KMT2AMAPK10MEN1HDAC1HDAC6
SCHEMBL21015765 0.87 HDAC6 (0.49) KMT2ADRD2MAPK8MAPK10MEN1
SCHEMBL19634722 0.84 NAMPT (0.55) KMT2ADRD2MEN1HDAC1HDAC6
SCHEMBL19634410 0.83 DRD2 (0.50) KMT2ADRD2MEN1ALDH1A1MAPT
SCHEMBL23471208 0.82 KMT2A (0.61) KMT2ADRD2MAPK10MEN1HDAC1
SCHEMBL23471207 0.79 KMT2A (0.50) KMT2ADRD2MAPK10MEN1HDAC1
SCHEMBL19634457 0.78 HPGD (0.59) KMT2AHDAC1HDAC6ALDH1A1MAPT
SCHEMBL19634454 0.77 KMT2A (0.67) KMT2AMAPK10MEN1HDAC1HDAC6
SCHEMBL8409443 0.74 SLC6A7 (0.54) KMT2ADRD2MEN1ALDH1A1SMN1; SMN2
Hydrochloric Acid SCHEMBL8714344 0.74 KDM1A (0.54) KMT2ADRD2MEN1ALDH1A1MAPT

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
EP-3831841-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T Global Inc. (US) 2021-06-09 EP disclosed
WO-2017200984-A1 NOVEL CYCLOSPORIN DERIVATIVES AND USES THEREOF S&T GLOBAL INC. (US) 2017-11-23 WO disclosed