SCHEMBL5236231

SCHEMBL5236231

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

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAPT P10636 5/20 0.43
KDM4E B2RXH2 4/20 0.43
SMN1; SMN2 Q16637 6/20 0.42
HPGD P15428 1/20 0.42
MGLL Q99685 1/20 0.41
ALDH1A1 P00352 2/20 0.40
LMNA P02545 2/20 0.39
HTT P42858 1/20 0.39
CNR1 P21554 2/20 0.39
PANK3 Q9H999 1/20 0.38
KCNH2 Q12809 2/20 0.38
POLB P06746 1/20 0.38
DGAT1 O75907 2/20 0.38
SOAT1 P35610 1/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38

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
SCHEMBL5238349 0.90 MAPT (0.45) MAPTKDM4ESMN1; SMN2HPGDMGLL
SCHEMBL5233583 0.89 CKS1B (0.41) MAPTKDM4ESMN1; SMN2HPGDMGLL
SCHEMBL5237578 0.84 KDM4E (0.43) MAPTKDM4ESMN1; SMN2HPGDMGLL
SCHEMBL5236239 0.83 SMN1; SMN2 (0.41) MAPTKDM4ESMN1; SMN2HPGDMGLL
SCHEMBL5237938 0.82 PANK3 (0.41) MAPTSMN1; SMN2HPGDPANK3MEN1
SCHEMBL5233237 0.82 SMN1; SMN2 (0.44) MAPTKDM4ESMN1; SMN2HPGDMGLL
SCHEMBL5237020 0.80 MGLL (0.47) MAPTKDM4ESMN1; SMN2MGLLLMNA
SCHEMBL5238939 0.78 MCHR1 (0.39)
SCHEMBL5238354 0.77 MAPT (0.40) MAPTKDM4ESMN1; SMN2HPGDMGLL
SCHEMBL5236755 0.77 MGLL (0.41) MAPTSMN1; SMN2MGLLLMNAHTT

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