SCHEMBL7309432

SCHEMBL7309432

COc1ccc(C=CCN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)c([N+](=O)[O-])c1OC

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.43
ALDH1A1 P00352 6/20 0.38
TSHR P16473 3/20 0.38
CYP1A2 P05177 3/20 0.38
CYP2D6 P10635 3/20 0.38
CYP2C19 P33261 3/20 0.38
HTT P42858 2/20 0.38
ABCB11 O95342 1/20 0.38
TP53 P04637 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
HTR1A P08908 1/20 0.38
CHRM5 P08912 1/20 0.38
ADRA2A P08913 1/20 0.38
CHRM1 P11229 1/20 0.38
DRD2 P14416 1/20 0.38
ADRA2B P18089 1/20 0.38
ADRA2C P18825 1/20 0.38
CHRM3 P20309 1/20 0.38
DRD1 P21728 1/20 0.38

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
SCHEMBL7309426 1.00 SETD7 (0.43) SETD7ALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL7299799 0.90 SETD7 (0.46) SETD7ALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL7299803 0.90 SETD7 (0.46) SETD7ALDH1A1TSHRCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL9455520 0.89 SETD7 (0.45) SETD7ALDH1A1TSHRCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL30357953 0.89 SETD7 (0.45) SETD7ALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL7309767 0.83 SETD7 (0.50) SETD7ALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL7309760 0.83 SETD7 (0.50) SETD7ALDH1A1TSHRCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL7212580 0.82 SETD7 (0.49) SETD7ALDH1A1TSHRCYP1A2CYP2D6
Hydrochloric Acid SCHEMBL7212584 0.82 SETD7 (0.49) SETD7ALDH1A1TSHRCYP1A2CYP2D6
SCHEMBL7308767 0.81 KDM4E (0.58) SETD7ALDH1A1TSHRCYP1A2CYP2D6

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