SCHEMBL29138936

SCHEMBL29138936

O=CN1CC(c2ccc(C(F)(F)F)cn2)C1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE9A O76083 1/20 0.41
SLC6A9 P48067 1/20 0.38
KDM4E B2RXH2 2/20 0.37
LMNA P02545 2/20 0.37
ABL1 P00519 1/20 0.37
KMT2A Q03164 1/20 0.37
HCRTR1 O43613 2/20 0.36
HCRTR2 O43614 2/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
APAF1 O14727 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ACACB O00763 1/20 0.35
RAB9A P51151 2/20 0.35
NPC1 O15118 1/20 0.34
HTT P42858 2/20 0.34
GPR119 Q8TDV5 1/20 0.34
KIF11 P52732 1/20 0.33

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
SCHEMBL30837129 0.89 KDM4E (0.40) PDE9ASLC6A9KDM4ELMNAABL1
SCHEMBL29138897 0.89 KDM4E (0.40) PDE9ASLC6A9KDM4ELMNAABL1
SCHEMBL29138945 0.89 KDM4E (0.40) PDE9ASLC6A9KDM4ELMNAABL1
SCHEMBL28818452 0.85 LMNA (0.41) PDE9AKDM4ELMNAABL1KMT2A
SCHEMBL29852305 0.77 KMT2A (0.42) PDE9AKDM4ELMNAABL1KMT2A
SCHEMBL16452781 0.77 KMT2A (0.42) PDE9AKDM4ELMNAABL1KMT2A
SCHEMBL31308042 0.76 KDM4C (0.31)
SCHEMBL28580878 0.76 HTR2C (0.47)
SCHEMBL29844008 0.75 HCRTR1 (0.58) KDM4ELMNAABL1HCRTR1HCRTR2
SCHEMBL28131310 0.74 ALOX5AP (0.43) PDE9AKDM4ELMNAABL1KMT2A

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
CN-116888120-A PRMTS inhibitors 美国安进公司 2023-10-13 CN disclosed