SCHEMBL5236239

SCHEMBL5236239

CCNC1(CC=O)CN(c2ccc(-c3ccc(C(F)(F)F)cc3)cn2)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 6/20 0.41
HPGD P15428 1/20 0.41
MGLL Q99685 1/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 4/20 0.39
ALDH1A1 P00352 1/20 0.38
CNR1 P21554 2/20 0.38
LMNA P02545 2/20 0.38
HTT P42858 1/20 0.38
KCNH2 Q12809 5/20 0.37
DGAT1 O75907 4/20 0.37
CYP2C9 P11712 3/20 0.37
CYP3A4 P08684 1/20 0.37
POLB P06746 1/20 0.36
SOAT1 P35610 1/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP2C19 P33261 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL5238354 0.91 MAPT (0.40) SMN1; SMN2HPGDMGLLMAPTKDM4E
SCHEMBL5233588 0.89 DGAT1 (0.41) SMN1; SMN2MGLLMAPTKDM4ELMNA
SCHEMBL5237586 0.86 KDM4E (0.40) SMN1; SMN2HPGDMGLLMAPTKDM4E
SCHEMBL5237945 0.83 PANK3 (0.37) SMN1; SMN2HPGDMAPTCYP2C9MEN1
SCHEMBL5236231 0.83 MAPT (0.43) SMN1; SMN2HPGDMGLLMAPTKDM4E
SCHEMBL5233246 0.83 MGLL (0.42) SMN1; SMN2HPGDMGLLMAPTKDM4E
SCHEMBL5237027 0.82 MGLL (0.44) MGLLKCNH2DGAT1CYP2C9CYP3A4
SCHEMBL5238953 0.80 TEK (0.37) MAPT
SCHEMBL5236758 0.79 EGLN1 (0.40) MGLLKCNH2DGAT1
SCHEMBL5233790 0.78 CA2 (0.38) MAPTLMNA

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