SCHEMBL19852562

SCHEMBL19852562

OC(COC1CCc2ccccc21)CN1CCCC1

nearest known ligand 0.60

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.60
GAA P10253 1/20 0.60
KMT2A Q03164 1/20 0.60
ALDH1A1 P00352 1/20 0.58
PRMT5 O14744 10/20 0.56
WDR77 Q9BQA1 10/20 0.56
KDM4E B2RXH2 1/20 0.53
CYP2D6 P10635 2/20 0.52
TSHR P16473 1/20 0.52
HIF1A Q16665 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.49
ATM Q13315 1/20 0.49
ACE2 Q9BYF1 1/20 0.48
CYP2C19 P33261 1/20 0.48

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
SCHEMBL21071450 0.83 GAA (0.67) MEN1GAAKMT2AALDH1A1PRMT5
SCHEMBL21071669 0.83 GAA (0.67) MEN1GAAKMT2AALDH1A1PRMT5
SCHEMBL19852510 0.83 GAA (0.67) MEN1GAAKMT2AALDH1A1PRMT5
SCHEMBL21071801 0.83 GAA (0.67) MEN1GAAKMT2AALDH1A1PRMT5
SCHEMBL21071615 0.83 GAA (0.67) MEN1GAAKMT2AALDH1A1PRMT5
SCHEMBL21071617 0.83 GAA (0.67) MEN1GAAKMT2AALDH1A1PRMT5
SCHEMBL21071449 0.83 GAA (0.67) MEN1GAAKMT2AALDH1A1PRMT5
SCHEMBL21071707 0.81 DRD2 (0.56) MEN1GAAKMT2AALDH1A1PRMT5
SCHEMBL21071969 0.81 DRD2 (0.56) MEN1GAAKMT2AALDH1A1PRMT5
SCHEMBL21145808 0.81 DRD2 (0.56) MEN1GAAKMT2AALDH1A1PRMT5

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-2018026371-A1 DUAL NAV1.2/5HT2A INHIBITORS FOR TREATING CNS DISORDERS SUNOVION PHARMACEUTICALS INC. (US) 2018-02-08 WO disclosed