SCHEMBL5304804

SCHEMBL5304804

CCCCN1C=CN(C(C)C)C1c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.36
KMT2A Q03164 4/20 0.36
POLB P06746 1/20 0.36
TSHR P16473 3/20 0.34
MAPT P10636 4/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
DRD2 P14416 2/20 0.33
ALDH1A1 P00352 2/20 0.33
HTR1A P08908 1/20 0.33
DRD1 P21728 1/20 0.33
DRD4 P21917 1/20 0.33
DRD5 P21918 1/20 0.33
DRD3 P35462 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
HTT P42858 1/20 0.33
NPC1 O15118 1/20 0.33
MITF O75030 1/20 0.33
PKM P14618 1/20 0.33
RECQL P46063 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL5301370 0.95 KCNH2 (0.35) MEN1KMT2ATSHRMAPTSMN1; SMN2
SCHEMBL5300255 0.94 KCNH2 (0.36) DRD2ALDH1A1HTR1ADRD1DRD4
SCHEMBL5303130 0.94 KCNH2 (0.36) DRD2ALDH1A1HTR1ADRD1DRD4
SCHEMBL5324689 0.94 KCNH2 (0.36) DRD2ALDH1A1HTR1ADRD1DRD4
SCHEMBL5336778 0.94 KCNH2 (0.36) DRD2ALDH1A1HTR1ADRD1DRD4
SCHEMBL5302175 0.94 KCNH2 (0.36) DRD2ALDH1A1HTR1ADRD1DRD4
SCHEMBL5297697 0.94 KCNH2 (0.36) DRD2ALDH1A1HTR1ADRD1DRD4
SCHEMBL5328368 0.94 KCNH2 (0.36) DRD2ALDH1A1HTR1ADRD1DRD4
SCHEMBL5303471 0.94 KCNH2 (0.36) DRD2ALDH1A1HTR1ADRD1DRD4
SCHEMBL5303946 0.94 KCNH2 (0.36) DRD2ALDH1A1HTR1ADRD1DRD4

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
WO-2007006418-A1 IONIC-LIQUID-CONTAINING PRODUCTS FOR DYEING AND/OR BRIGHTENING KERATIN FIBRES HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2007-01-18 WO disclosed
WO-2006131234-A1 COSMETIC COMPOSITIONS COMPRISING IONIC LIQUIDS HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2006-12-14 WO disclosed