SCHEMBL3637345

SCHEMBL3637345

CC(C)COC(=O)N1CCC(C(C#N)c2ccc3c(c2)OCO3)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 2/20 0.48
FAAH O00519 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
CHRM2 P08172 2/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
HPGD P15428 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
MCL1 Q07820 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
TSHR P16473 1/20 0.41
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
LMNA P02545 1/20 0.40
ACHE P22303 3/20 0.40

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
SCHEMBL3637342 0.84 MMP13 (0.52) MGLLFAAHALDH1A1L3MBTL1NPC1
SCHEMBL13984629 0.83 MGLL (0.46) MGLLFAAHKMT2ACHRM2KDM4E
SCHEMBL2843865 0.77 ACHE (0.51) MGLLFAAHMEN1KMT2AKDM4E
SCHEMBL3635503 0.73 HSD17B10 (0.43) MGLLMEN1KMT2ACHRM2KDM4E
SCHEMBL11388208 0.72 SLC6A3 (0.58) MEN1KMT2AALDH1A1HPGDCYP1A2
SCHEMBL20198176 0.72 MGLL (0.61) MGLLFAAHALDH1A1HPGDL3MBTL1
SCHEMBL4595366 0.71 RAB9A (0.43) CHRM2ALDH1A1L3MBTL1RAB9A
SCHEMBL3638654 0.70 ACHE (0.47) MEN1KMT2ACHRM2KDM4EHPGD
SCHEMBL20408672 0.69 MGLL (0.58) MGLLFAAHCHRM2KDM4EALDH1A1
SCHEMBL5285048 0.68 CRHBP (0.52) MEN1KMT2AKDM4EHPGDCYP1A2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2167466-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR Glaxo Group Limited (GB) 2010-03-31 EP disclosed
WO-2008148853-A1 N-PHENYL HYDRAZIDES AS MODULATORS OF THE GHRELIN RECEPTOR GLAXO GROUP LIMITED (GB) 2008-12-11 WO disclosed