SCHEMBL9718800

SCHEMBL9718800

O=C(O)CCCCN1CCC(=C2c3ccccc3COc3ccccc32)CC1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.53
DRD3 P35462 2/20 0.45
DRD2 P14416 2/20 0.45
SETD7 Q8WTS6 3/20 0.43
TP53 P04637 3/20 0.41
MAPT P10636 1/20 0.41
PTAFR P25105 1/20 0.41
S1PR5 Q9H228 2/20 0.40
GLA P06280 1/20 0.40
THRB P10828 1/20 0.40
HTR1A P08908 1/20 0.39
HDAC3 O15379 1/20 0.39
HDAC1 Q13547 1/20 0.39
HDAC2 Q92769 1/20 0.39
HDAC8 Q9BY41 1/20 0.39
NCOR2 Q9Y618 1/20 0.39
NPC1 O15118 1/20 0.39
RAB9A P51151 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39

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
SCHEMBL9718784 0.99 KCNH2 (0.52) KCNH2DRD3DRD2SETD7TP53
Hydrochloric Acid SCHEMBL9718782 0.99 KCNH2 (0.52) KCNH2DRD3DRD2SETD7TP53
Hydrochloric Acid SCHEMBL9718765 0.98 KCNH2 (0.52) KCNH2DRD3DRD2SETD7TP53
SCHEMBL9718719 0.97 KCNH2 (0.54) KCNH2DRD3DRD2SETD7TP53
Hydrochloric Acid SCHEMBL9718768 0.96 KCNH2 (0.53) KCNH2DRD3DRD2SETD7TP53
SCHEMBL9718791 0.92 KCNH2 (0.56) KCNH2DRD3DRD2SETD7MAPT
SCHEMBL9718809 0.87 SETD7 (0.54) KCNH2DRD3DRD2SETD7MAPT
SCHEMBL11601728 0.87 KCNH2 (0.53) KCNH2DRD3DRD2SETD7TP53
SCHEMBL9718806 0.86 SETD7 (0.52) DRD3DRD2SETD7MAPTPTAFR
Hydrochloric Acid SCHEMBL9718827 0.86 SETD7 (0.52) KCNH2DRD3DRD2SETD7MAPT

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
US-5095022-A Antiallergens HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1992-03-10 US disclosed
EP-0406739-A2 Piperidine derivative, method for preparation thereof, and a pharmaceutical composition comprising the same HOKURIKU PHARMACEUTICAL CO., LTD. (JP) 1991-01-09 EP disclosed