SCHEMBL5237968

SCHEMBL5237968

CNC1(CC=O)CN(c2ccc(-c3cccc(OC)c3)cn2)CCCN1C(=O)O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.47
WNT3A P56704 2/20 0.37
DRD4 P21917 2/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36
KDM4E B2RXH2 1/20 0.35
LMNA P02545 1/20 0.35
MAPK1 P28482 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
HSD17B10 Q99714 1/20 0.35
AVPR1B P47901 1/20 0.35
DGAT2 Q96PD7 1/20 0.35
ADORA3 P0DMS8 1/20 0.35
FFAR1 O14842 1/20 0.35
FFAR4 Q5NUL3 1/20 0.35
NAAA Q02083 2/20 0.35
ABL1 P00519 1/20 0.35
BCR P11274 1/20 0.35
ROCK2 O75116 2/20 0.34

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
SCHEMBL5238848 0.91 EGLN1 (0.42) EGLN1HSD17B10NAAA
SCHEMBL5233015 0.86 MGLL (0.42)
SCHEMBL5236962 0.85 EGLN1 (0.45) EGLN1WNT3AHSD17B10
SCHEMBL5234755 0.84 EGLN1 (0.39) EGLN1DRD4DRD2DRD3
SCHEMBL5236774 0.83 CACNA1G (0.39) ABL1
SCHEMBL5240799 0.82 NAAA (0.40) DRD4LMNAMAPK1HTTSMN1; SMN2
SCHEMBL5237586 0.81 KDM4E (0.40) KDM4ELMNAHTTSMN1; SMN2
SCHEMBL5237027 0.81 MGLL (0.44) WNT3ADRD2DRD3
SCHEMBL5237009 0.81 DGAT1 (0.39)
SCHEMBL5233798 0.80 AKR1C3 (0.36) KDM4EMAPK1SMN1; 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