SCHEMBL6705874

SCHEMBL6705874

C=CCC1CCc2ccccc2N1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.49
HTR1A P08908 5/20 0.41
NPC1 O15118 1/20 0.37
MAPK13 O15264 1/20 0.37
MAPK12 P53778 1/20 0.37
MAPK11 Q15759 1/20 0.37
MAPK14 Q16539 1/20 0.37
SMYD3 Q9H7B4 1/20 0.36
ALDH1A1 P00352 3/20 0.35
KDM4E B2RXH2 2/20 0.35
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
CTNNB1 P35222 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
CREBBP Q92793 2/20 0.34
BRD4 O60885 1/20 0.34
ADRA2A P08913 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
MEN1 O00255 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
SCHEMBL3055775 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EGAAMAPK1CTNNB1
SCHEMBL29756469 0.83 ALDH1A1 (0.43) ALDH1A1KDM4EGAAMAPK1CTNNB1
Hydrochloric Acid SCHEMBL2259015 0.81 ALDH1A1 (0.42) ALDH1A1KDM4EGAAMAPK1CTNNB1
SCHEMBL2124605 0.81 MTNR1A (0.52) MTNR1AHTR1ANPC1MAPK13MAPK12
SCHEMBL7951734 0.80 MTNR1A (0.55) MTNR1ANPC1MAPK13MAPK12MAPK11
SCHEMBL7140193 0.78 MTNR1A (0.34) MTNR1AHTR1AALDH1A1KDM4EGAA
SCHEMBL4728695 0.78 MTNR1A (0.50) MTNR1AHTR1ANPC1MAPK13MAPK12
SCHEMBL4139663 0.77 MTNR1A (0.60) MTNR1AHTR1ANPC1MAPK13MAPK12
SCHEMBL3115244 0.77 MTNR1A (0.52) MTNR1AHTR1ANPC1MAPK13MAPK12
SCHEMBL22262591 0.77 MTNR1A (0.60) MTNR1AHTR1ANPC1MAPK13MAPK12

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
JP-2004264834-A PHOTOSENSITIVE COMPOSITION, IMAGE FORMING MATERIAL USING THE SAME, IMAGE FORMING MATERIAL AND IMAGE FORMING METHOD MITSUBISHI CHEMICALS CORP 2004-09-24 JP disclosed