SCHEMBL5233791

SCHEMBL5233791

CNC1(C(C)=O)CN(c2ccc(Br)cn2)CCCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PANK3 Q9H999 1/20 0.41
AKR1C3 P42330 1/20 0.39
ACACB O00763 1/20 0.36
PPARG P37231 1/20 0.35
PPARD Q03181 1/20 0.35
PPARA Q07869 1/20 0.35
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34
CRBN Q96SW2 3/20 0.33
KDM4E B2RXH2 2/20 0.32
IDO1 P14902 1/20 0.32
POLB P06746 1/20 0.32
ALDH1A1 P00352 2/20 0.32
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL5234753 0.83 DGAT1 (0.41) PANK3MAPTRAB9ASMN1; SMN2
SCHEMBL5238842 0.82 EGLN1 (0.43) ACACBGRIN1GRIN2BCRBNALDH1A1
SCHEMBL5237578 0.81 KDM4E (0.43) PANK3KDM4EPOLBALDH1A1MAPT
SCHEMBL5238522 0.81 PANK3 (0.43) PANK3PPARGPPARAGRIN2DGRIN3B
SCHEMBL5237002 0.80 DGAT1 (0.41)
SCHEMBL5236952 0.80 EGLN1 (0.46) NPC1RAB9AKMT2A
SCHEMBL5233798 0.79 AKR1C3 (0.36) PANK3AKR1C3ACACBPPARGPPARD
SCHEMBL5236765 0.79 CACNA1G (0.39) ACACBPPARGPPARDPPARAMAPT
SCHEMBL5233010 0.77 MGLL (0.44) GRIN1GRIN2BKDM4EPOLB
SCHEMBL5236755 0.77 MGLL (0.41) PANK3MAPTRAB9AKMT2ASMN1; SMN2

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