SCHEMBL20850792

SCHEMBL20850792

CC[C@](O)(C(=O)O)[C@H]1CCCCN1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FDPS P14324 2/20 0.36
KDM4E B2RXH2 1/20 0.36
NPC1 O15118 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2D6 P10635 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
CYP2C19 P33261 1/20 0.36
RAB9A P51151 1/20 0.36
SLC6A3 Q01959 6/20 0.34
SLC6A2 P23975 5/20 0.34
SLC6A4 P31645 4/20 0.34
CCR2 P41597 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
MITF O75030 1/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 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
SCHEMBL20850789 0.77 KDM4E (0.39) FDPSKDM4ENPC1CYP1A2CYP2D6
SCHEMBL20850795 0.77 KDM4E (0.39) FDPSKDM4ENPC1CYP1A2CYP2D6
SCHEMBL22461930 0.74 FDPS (0.36) FDPSKDM4ENPC1CYP1A2CYP2D6
SCHEMBL19819318 0.74 KDM4E (0.36) FDPSKDM4ENPC1CYP1A2CYP2D6
SCHEMBL19819319 0.74 KDM4E (0.36) FDPSKDM4ENPC1CYP1A2CYP2D6
SCHEMBL6879318 0.74 KDM4E (0.36) FDPSKDM4ENPC1CYP1A2CYP2D6
SCHEMBL7498448 0.74 FDPS (0.36) FDPSKDM4ENPC1CYP1A2CYP2D6
SCHEMBL27504819 0.73 KDM4E (0.35) FDPSKDM4ENPC1CYP1A2CYP2D6
SCHEMBL28057200 0.72 KEAP1 (0.39) KDM4ECYP1A2CYP2D6CYP2C19SLC6A3
SCHEMBL5447760 0.70 KDM4E (0.42) FDPSKDM4ENPC1CYP1A2CYP2D6

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
EP-3066076-B1 PROCESS FOR THE PREPARATION OF METHYLPHENIDATE AND PHARMACEUTICAL SALTS THEREOF NORAMCO INC (US) 2019-03-27 EP disclosed