SCHEMBL5231147

SCHEMBL5231147

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

nearest known ligand 0.48

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 1/20 0.48
RAB9A P51151 11/20 0.46
NPC1 O15118 10/20 0.46
MAPT P10636 3/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
PAX8 Q06710 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
HSP90AA1 P07900 1/20 0.40
THRB P10828 2/20 0.40
LMNA P02545 1/20 0.40
SCD O00767 1/20 0.38
TP53 P04637 3/20 0.38
TDP1 Q9NUW8 1/20 0.36
SLC6A7 Q99884 1/20 0.35
FGFR3 P22607 1/20 0.35
KDR P35968 1/20 0.35

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
SCHEMBL5237027 0.87 MGLL (0.44) SLC6A7
SCHEMBL5234121 0.87 DHODH (0.39) CNR2SLC6A7
SCHEMBL5232205 0.84 SLC6A7 (0.41) NPC1MAPTSMN1; SMN2LMNASLC6A7
SCHEMBL5231133 0.83 CNR2 (0.51) CNR2RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL5232337 0.83 LMNA (0.45) RAB9AMAPTSMN1; SMN2MEN1KMT2A
SCHEMBL5233015 0.83 MGLL (0.42) SLC6A7
SCHEMBL5238354 0.79 MAPT (0.40) MAPTSMN1; SMN2MEN1KMT2ALMNA
SCHEMBL5237329 0.77 CA2 (0.40) MAPTSMN1; SMN2THRBLMNATP53
SCHEMBL5238879 0.75 CNR2 (0.67) CNR2RAB9ANPC1MAPTSMN1; SMN2
SCHEMBL5238652 0.74 HSD17B10 (0.44) SMN1; 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