SCHEMBL3727736

SCHEMBL3727736

CC(C)COC(=O)N1CCC(=C(C#N)c2cccc3ccccc23)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.41
KDM4E B2RXH2 4/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 6/20 0.39
MAPT P10636 2/20 0.39
GAA P10253 2/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
TSHR P16473 2/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
ADRB2 P07550 1/20 0.38
ADRB1 P08588 1/20 0.38
ADRB3 P13945 1/20 0.38
CDC25B P30305 1/20 0.38
USP2 O75604 1/20 0.38
GLA P06280 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38
MEN1 O00255 1/20 0.38

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
SCHEMBL3638697 0.82 BACE1 (0.48) POLBALDH1A1HTTUSP2
SCHEMBL3635503 0.71 HSD17B10 (0.43) KMT2AKDM4EALDH1A1HPGDTSHR
SCHEMBL8028141 0.70 ALDH1A1 (0.72) KMT2AKDM4EPOLBALDH1A1MAPT
SCHEMBL11840363 0.66 MEN1 (0.43) KMT2AKDM4EPOLBALDH1A1MAPT
SCHEMBL15355424 0.66 PRMT5 (0.67) KMT2AMAPTHRH3MEN1
SCHEMBL1721447 0.66 KIT (0.43) KMT2AALDH1A1GAAHPGDTSHR
Hydrochloric Acid SCHEMBL11840359 0.65 MEN1 (0.43) KMT2AKDM4EPOLBALDH1A1MAPT
SCHEMBL24312147 0.65 PRMT5 (0.46)
SCHEMBL20135734 0.64 MEN1 (0.61) KMT2APOLBALDH1A1GAAHTT
SCHEMBL7921315 0.64 MEN1 (0.64) KMT2AKDM4EPOLBALDH1A1HTT

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