SCHEMBL7307420

SCHEMBL7307420

COc1ccc(/C=C/CN2CCC(=C3c4ccccc4CCc4ccccc43)CC2)c(OC)c1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.48
ALDH1A1 P00352 3/20 0.46
TSHR P16473 2/20 0.46
CYP1A1 P04798 5/20 0.44
CYP1A2 P05177 5/20 0.44
CYP1B1 Q16678 5/20 0.44
TDP1 Q9NUW8 1/20 0.44
MAPK1 P28482 1/20 0.44
RECQL P46063 1/20 0.44
LMNA P02545 2/20 0.43
SETD7 Q8WTS6 1/20 0.43
GAA P10253 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
PKM P14618 1/20 0.42
MAPT P10636 1/20 0.40
PAX8 Q06710 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
NFE2L2 Q16236 1/20 0.40

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
SCHEMBL7307426 1.00 KDM4E (0.48) KDM4EALDH1A1TSHRCYP1A1CYP1A2
SCHEMBL7299185 0.89 KDM4E (0.42) KDM4EALDH1A1TSHRCYP1A1CYP1A2
SCHEMBL7299179 0.89 KDM4E (0.42) KDM4EALDH1A1TSHRCYP1A1CYP1A2
SCHEMBL7308580 0.89 SETD7 (0.49) KDM4EALDH1A1TSHRCYP1A1CYP1A2
SCHEMBL7308587 0.89 SETD7 (0.49) KDM4EALDH1A1TSHRCYP1A1CYP1A2
Hydrochloric Acid SCHEMBL7218673 0.88 SETD7 (0.48) KDM4EALDH1A1TSHRCYP1A1CYP1A2
Hydrochloric Acid SCHEMBL7218677 0.88 SETD7 (0.48) KDM4EALDH1A1TSHRCYP1A1CYP1A2
SCHEMBL7300481 0.80 SETD7 (0.49) KDM4EALDH1A1TSHRCYP1A2MAPK1
SCHEMBL7300479 0.80 SETD7 (0.49) KDM4EALDH1A1TSHRCYP1A2MAPK1
Hydrochloric Acid SCHEMBL7218909 0.80 SETD7 (0.48) KDM4EALDH1A1TSHRCYP1A2MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0479601-B1 Piperidine derivatives and their use as antiarrhythmic agents AJINOMOTO KK (JP) 1999-12-15 EP claimed
EP-0479601-B1 Piperidine derivatives and their use as antiarrhythmic agents AJINOMOTO KK (JP) 1999-12-15 EP disclosed
US-5229400-A Cardiovascular disorders AJINOMOTO CO., INC. (JP) 1993-07-20 US disclosed
EP-0479601-A2 Piperidine derivatives and their use as antiarrhythmic agents Ajinomoto Co., Inc. (JP) 1992-04-08 EP disclosed