SCHEMBL9718792

SCHEMBL9718792

O=C(O)CCN1CCC(=C2c3ccccc3CCc3ccccc32)CC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 2/20 0.58
PTAFR P25105 2/20 0.57
MEN1 O00255 2/20 0.50
MAPT P10636 2/20 0.50
KMT2A Q03164 2/20 0.50
MAPK1 P28482 2/20 0.50
CYP2D6 P10635 1/20 0.50
CYP2C19 P33261 1/20 0.50
FNTA P49354 1/20 0.50
FNTB P49356 1/20 0.50
KDM4E B2RXH2 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
POLB P06746 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
DRD2 P14416 4/20 0.47
HRH1 P35367 4/20 0.47
DRD3 P35462 3/20 0.47
CHRM2 P08172 3/20 0.47
CHRM1 P11229 3/20 0.47
HTR2A P28223 3/20 0.47

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
SCHEMBL9718729 0.92 SETD7 (0.55) SETD7PTAFRMEN1MAPTKMT2A
SCHEMBL9718809 0.91 SETD7 (0.54) SETD7PTAFRMEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL9718758 0.91 SETD7 (0.54) SETD7PTAFRMEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL9718827 0.89 SETD7 (0.52) SETD7PTAFRMEN1MAPTKMT2A
SCHEMBL9718806 0.89 SETD7 (0.52) SETD7PTAFRMEN1MAPTKMT2A
Hydrochloric Acid SCHEMBL9718721 0.88 SETD7 (0.51) SETD7PTAFRMEN1MAPTKMT2A
SCHEMBL11600894 0.87 PTAFR (0.63) SETD7PTAFRMEN1MAPTKMT2A
SCHEMBL9718791 0.86 KCNH2 (0.56) SETD7PTAFRMEN1MAPTKMT2A
SCHEMBL3787169 0.85 CYP2D6 (0.47) SETD7PTAFRMEN1MAPTKMT2A
SCHEMBL9718725 0.85 PTAFR (0.60) SETD7PTAFRMEN1MAPTKMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

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