SCHEMBL7308587

SCHEMBL7308587

COc1ccc(C=CCN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)c(OC)c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.49
KDM4E B2RXH2 4/20 0.45
ALDH1A1 P00352 4/20 0.45
LMNA P02545 4/20 0.45
TSHR P16473 3/20 0.45
CYP1A2 P05177 4/20 0.43
CYP1A1 P04798 3/20 0.43
CYP1B1 Q16678 3/20 0.43
ABCB11 O95342 1/20 0.43
TP53 P04637 1/20 0.43
CHRM2 P08172 1/20 0.43
CHRM4 P08173 1/20 0.43
HTR1A P08908 1/20 0.43
CHRM5 P08912 1/20 0.43
ADRA2A P08913 1/20 0.43
CYP2D6 P10635 1/20 0.43
CHRM1 P11229 1/20 0.43
DRD2 P14416 1/20 0.43
ADRA2B P18089 1/20 0.43
ADRA2C P18825 1/20 0.43

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
SCHEMBL7308580 1.00 SETD7 (0.49) SETD7KDM4EALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL7218673 0.99 SETD7 (0.48) SETD7KDM4EALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL7218677 0.99 SETD7 (0.48) SETD7KDM4EALDH1A1LMNATSHR
SCHEMBL7300479 0.92 SETD7 (0.49) SETD7KDM4EALDH1A1LMNATSHR
SCHEMBL7300481 0.92 SETD7 (0.49) SETD7KDM4EALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL7218909 0.91 SETD7 (0.48) SETD7KDM4EALDH1A1LMNATSHR
Hydrochloric Acid SCHEMBL7218912 0.91 SETD7 (0.48) SETD7KDM4EALDH1A1LMNATSHR
SCHEMBL7307426 0.89 KDM4E (0.48) SETD7KDM4EALDH1A1LMNATSHR
SCHEMBL7307420 0.89 KDM4E (0.48) SETD7KDM4EALDH1A1LMNATSHR
SCHEMBL7308767 0.88 KDM4E (0.58) SETD7KDM4EALDH1A1LMNATSHR

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 5 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
US-5229400-A Cardiovascular disorders AJINOMOTO CO., INC. (JP) 1993-07-20 US 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