SCHEMBL19634820

SCHEMBL19634820

COC(=O)CN1CCN(C(=O)c2cccc(CNC(=O)C(C)C)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
SMN1; SMN2 Q16637 3/20 0.46
LMNA P02545 2/20 0.46
TSHR P16473 2/20 0.46
MAPK1 P28482 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ALDH1A1 P00352 2/20 0.43
NPC1 O15118 1/20 0.43
TP53 P04637 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPK8 P45983 2/20 0.42
MAPK10 P53779 2/20 0.42
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
HTR1A P08908 1/20 0.42
ADRA1D P25100 1/20 0.42
HTR1B P28222 1/20 0.42

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
SCHEMBL19634642 0.86 DRD3 (0.50) MEN1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL21015335 0.85 LMNA (0.46) MEN1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL19634720 0.82 LMNA (0.48) MEN1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL19634724 0.82 LOXL2 (0.53) MEN1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL19634647 0.79 LMNA (0.48) MEN1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL19634815 0.74 MEN1 (0.51) MEN1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL19634458 0.74 KMT2A (0.48) MEN1KMT2ASMN1; SMN2LMNAALDH1A1
SCHEMBL19910574 0.72 MEP1B (0.64) KMT2AMAPK1NPC1RAB9A
SCHEMBL19634640 0.72 LMNA (0.53) MEN1KMT2ASMN1; SMN2LMNATSHR
SCHEMBL19634410 0.72 DRD2 (0.50) MEN1KMT2ALMNAALDH1A1KDM4E

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