SCHEMBL5285912

SCHEMBL5285912

CCCN1C=CN(c2ccccc2)C1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 3/20 0.40
SIGMAR1 Q99720 1/20 0.40
MAPT P10636 1/20 0.37
ATM Q13315 1/20 0.37
ELANE P08246 3/20 0.33
MAPK1 P28482 1/20 0.33
HRH3 Q9Y5N1 1/20 0.33
PGR P06401 1/20 0.33
DRD1 P21728 1/20 0.32
DRD4 P21917 1/20 0.32
DRD5 P21918 1/20 0.32
DRD3 P35462 1/20 0.32
MAOA P21397 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
MEN1 O00255 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C9 P11712 1/20 0.31
CYP2C19 P33261 1/20 0.31
KMT2A Q03164 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31

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
SCHEMBL5302977 0.90 RAB9A (0.38) DRD2SIGMAR1MAPTELANEMAPK1
SCHEMBL5290363 0.88 KCNH2 (0.36) MAPTELANESMN1; SMN2MEN1CYP1A2
SCHEMBL5297163 0.87 KCNH2 (0.38) MAPTELANESMN1; SMN2MEN1CYP1A2
SCHEMBL5290697 0.87 KCNH2 (0.38) MAPTELANESMN1; SMN2MEN1CYP1A2
SCHEMBL5816783 0.87 KCNH2 (0.38) MAPTELANESMN1; SMN2MEN1CYP1A2
SCHEMBL5297180 0.87 KCNH2 (0.38) MAPTELANESMN1; SMN2MEN1CYP1A2
SCHEMBL5297009 0.87 KCNH2 (0.38) MAPTELANESMN1; SMN2MEN1CYP1A2
SCHEMBL5293812 0.87 KCNH2 (0.38) MAPTELANESMN1; SMN2MEN1CYP1A2
SCHEMBL5298019 0.87 KCNH2 (0.38) MAPTELANESMN1; SMN2MEN1CYP1A2
SCHEMBL5293155 0.87 KCNH2 (0.38) MAPTELANESMN1; SMN2MEN1CYP1A2

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