SCHEMBL5233237

SCHEMBL5233237

CC(=O)C1(N)CN(c2ccc(-c3ccc(C(F)(F)F)cc3)cn2)CCN1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.44
MAPT P10636 5/20 0.44
KDM4E B2RXH2 5/20 0.44
MGLL Q99685 1/20 0.44
HPGD P15428 1/20 0.41
LMNA P02545 4/20 0.41
ABL1 P00519 1/20 0.41
DGAT1 O75907 2/20 0.41
KCNH2 Q12809 2/20 0.41
ALDH1A1 P00352 1/20 0.41
MEN1 O00255 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41
SOAT1 P35610 1/20 0.41
HTT P42858 4/20 0.40
HSD11B1 P28845 1/20 0.39
HSD11B2 P80365 1/20 0.39
POLB P06746 1/20 0.39

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
SCHEMBL5234475 0.89 MGLL (0.48) SMN1; SMN2MAPTKDM4EMGLLDGAT1
SCHEMBL5238349 0.84 MAPT (0.45) SMN1; SMN2MAPTKDM4EMGLLHPGD
SCHEMBL5236231 0.82 MAPT (0.43) SMN1; SMN2MAPTKDM4EMGLLHPGD
SCHEMBL5233246 0.81 MGLL (0.42) SMN1; SMN2MAPTKDM4EMGLLHPGD
SCHEMBL5233583 0.79 CKS1B (0.41) SMN1; SMN2MAPTKDM4EMGLLHPGD
SCHEMBL5237578 0.79 KDM4E (0.43) SMN1; SMN2MAPTKDM4EMGLLHPGD
SCHEMBL5238354 0.77 MAPT (0.40) SMN1; SMN2MAPTKDM4EMGLLHPGD
SCHEMBL5232948 0.77 MGLL (0.60) SMN1; SMN2MAPTKDM4EMGLLHPGD
SCHEMBL5236239 0.76 SMN1; SMN2 (0.41) SMN1; SMN2MAPTKDM4EMGLLHPGD
SCHEMBL5237020 0.74 MGLL (0.47) SMN1; SMN2MAPTKDM4EMGLLLMNA

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-1701946-B1 DERIVATIVES OF 1-PIPERAZINE- AND 1-HOMOPIPERAZINE-CARBOXYLATES, PREPARATION METHOD THEREOF AND USE OF SAME AS INHIBITORS OF THE FAAH ENZYME SANOFI AVENTIS (FR) 2007-12-19 EP claimed