SCHEMBL9718809

SCHEMBL9718809

O=C(O)CCCCN1CCC(=C2c3ccccc3CCc3ccccc32)CC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 2/20 0.54
PTAFR P25105 1/20 0.53
DRD3 P35462 3/20 0.50
DRD2 P14416 3/20 0.50
CYP2D6 P10635 1/20 0.47
CYP2C19 P33261 1/20 0.47
MEN1 O00255 1/20 0.47
MAPT P10636 1/20 0.47
MAPK1 P28482 1/20 0.47
KMT2A Q03164 1/20 0.47
FNTA P49354 1/20 0.47
FNTB P49356 1/20 0.47
S1PR5 Q9H228 2/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
NCOR2 Q9Y618 1/20 0.44
HTR1A P08908 2/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL9718806 0.99 SETD7 (0.52) SETD7PTAFRDRD3DRD2CYP2D6
Hydrochloric Acid SCHEMBL9718827 0.99 SETD7 (0.52) SETD7PTAFRDRD3DRD2CYP2D6
Hydrochloric Acid SCHEMBL9718721 0.97 SETD7 (0.51) SETD7PTAFRDRD3DRD2CYP2D6
SCHEMBL9718729 0.96 SETD7 (0.55) SETD7PTAFRDRD3DRD2CYP2D6
Hydrochloric Acid SCHEMBL9718758 0.95 SETD7 (0.54) SETD7PTAFRDRD3DRD2CYP2D6
SCHEMBL9718792 0.91 SETD7 (0.58) SETD7PTAFRDRD3DRD2CYP2D6
SCHEMBL9718800 0.87 KCNH2 (0.53) SETD7PTAFRDRD3DRD2MAPT
Hydrochloric Acid SCHEMBL9718782 0.86 KCNH2 (0.52) SETD7PTAFRDRD3DRD2MAPT
SCHEMBL9844279 0.86 FNTA (0.54) SETD7PTAFRDRD3DRD2CYP2D6
SCHEMBL9718784 0.86 KCNH2 (0.52) SETD7PTAFRDRD3DRD2MAPT

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
US-5095022-A Antiallergens HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1992-03-10 US disclosed