SCHEMBL7300443

SCHEMBL7300443

COc1cc(/C=C/CN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)cc(OC)c1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.53
TSHR P16473 2/20 0.47
ADRA2A P08913 2/20 0.47
ADRA2C P18825 2/20 0.47
SLC6A4 P31645 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ABCB11 O95342 1/20 0.47
TP53 P04637 1/20 0.47
CYP1A2 P05177 1/20 0.47
CHRM2 P08172 1/20 0.47
CHRM4 P08173 1/20 0.47
HTR1A P08908 1/20 0.47
CHRM5 P08912 1/20 0.47
CYP2D6 P10635 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47
CHRM3 P20309 1/20 0.47
DRD1 P21728 1/20 0.47
TBXA2R P21731 1/20 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
SCHEMBL7300447 1.00 SETD7 (0.53) SETD7TSHRADRA2AADRA2CSLC6A4
Hydrochloric Acid SCHEMBL7213909 0.99 SETD7 (0.52) SETD7TSHRADRA2AADRA2CSLC6A4
Hydrochloric Acid SCHEMBL7213904 0.99 SETD7 (0.52) SETD7TSHRADRA2AADRA2CSLC6A4
SCHEMBL7298367 0.91 SETD7 (0.51) SETD7TSHRADRA2AADRA2CSLC6A4
SCHEMBL7298362 0.91 SETD7 (0.51) SETD7TSHRADRA2AADRA2CSLC6A4
Hydrochloric Acid SCHEMBL7212326 0.90 SETD7 (0.50) SETD7TSHRADRA2AADRA2CSLC6A4
Hydrochloric Acid SCHEMBL7212328 0.90 SETD7 (0.50) SETD7TSHRADRA2AADRA2CSLC6A4
SCHEMBL7297049 0.90 SETD7 (0.54) SETD7TSHRADRA2AADRA2CSLC6A4
SCHEMBL7297053 0.90 SETD7 (0.54) SETD7TSHRADRA2AADRA2CSLC6A4
Hydrochloric Acid SCHEMBL9135189 0.89 SETD7 (0.53) SETD7TSHRADRA2AADRA2CSLC6A4

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