SCHEMBL7299803

SCHEMBL7299803

COc1cccc(C=CCN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)c1[N+](=O)[O-]

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.46
KDM4E B2RXH2 3/20 0.44
ALDH1A1 P00352 3/20 0.44
TSHR P16473 3/20 0.44
CYP1A2 P05177 3/20 0.40
CYP2D6 P10635 3/20 0.40
CYP2C19 P33261 3/20 0.40
ABCB11 O95342 1/20 0.40
TP53 P04637 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM4 P08173 1/20 0.40
HTR1A P08908 1/20 0.40
CHRM5 P08912 1/20 0.40
ADRA2A P08913 1/20 0.40
CHRM1 P11229 1/20 0.40
DRD2 P14416 1/20 0.40
ADRA2B P18089 1/20 0.40
ADRA2C P18825 1/20 0.40
CHRM3 P20309 1/20 0.40
DRD1 P21728 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
SCHEMBL7299799 1.00 SETD7 (0.46) SETD7KDM4EALDH1A1TSHRCYP1A2
Hydrochloric Acid SCHEMBL30357953 0.99 SETD7 (0.45) SETD7KDM4EALDH1A1TSHRCYP1A2
Hydrochloric Acid SCHEMBL9455520 0.99 SETD7 (0.45) SETD7KDM4EALDH1A1TSHRCYP1A2
SCHEMBL7309432 0.90 SETD7 (0.43) SETD7KDM4EALDH1A1TSHRCYP1A2
SCHEMBL7309426 0.90 SETD7 (0.43) SETD7KDM4EALDH1A1TSHRCYP1A2
SCHEMBL7308766 0.87 KDM4E (0.58) SETD7KDM4EALDH1A1TSHRCYP1A2
SCHEMBL7308767 0.87 KDM4E (0.58) SETD7KDM4EALDH1A1TSHRCYP1A2
Hydrochloric Acid SCHEMBL7218788 0.86 KDM4E (0.57) SETD7KDM4EALDH1A1TSHRCYP1A2
Hydrochloric Acid SCHEMBL7213910 0.86 KDM4E (0.57) SETD7KDM4EALDH1A1TSHRCYP1A2
SCHEMBL7309767 0.85 SETD7 (0.50) SETD7KDM4EALDH1A1TSHRCYP1A2

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 7 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
JP-11228412-A None JP disclosed
EP-0479601-B1 Piperidine derivatives and their use as antiarrhythmic agents AJINOMOTO KK (JP) 1999-12-15 EP disclosed
JP-H11228412-A SELECTIVE CALCIUM ANTAGONIST FOR CARDIAC MUSCLE AJINOMOTO CO INC 1999-08-24 JP 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