SCHEMBL5231133

SCHEMBL5231133

CNC1(C(C)=O)CN(c2ccc(-c3cccc(C(F)(F)F)c3)nn2)CCN1C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.51
RAB9A P51151 9/20 0.48
NPC1 O15118 8/20 0.48
MAPT P10636 5/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
PAX8 Q06710 2/20 0.42
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
HSP90AA1 P07900 1/20 0.42
THRB P10828 2/20 0.41
LMNA P02545 2/20 0.41
SCD O00767 1/20 0.39
TP53 P04637 6/20 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
SCHEMBL5237020 0.86 MGLL (0.47) MAPTSMN1; SMN2LMNA
SCHEMBL5234118 0.85 DHODH (0.41) CNR2MAPTSMN1; SMN2
SCHEMBL5231147 0.83 CNR2 (0.48) CNR2RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL5232329 0.81 LMNA (0.48) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5233010 0.81 MGLL (0.44)
SCHEMBL5238879 0.77 CNR2 (0.67) CNR2RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL5238349 0.77 MAPT (0.45) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5237326 0.74 CA2 (0.43) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5233779 0.74 CA12 (0.41) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5237578 0.72 KDM4E (0.43) CNR2MAPTSMN1; SMN2MEN1KMT2A

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