SCHEMBL7308982

SCHEMBL7308982

COc1cccc(CN2CCC(=C3c4ccccc4C=Cc4ccccc43)CC2)c1OC

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.56
KDM4E B2RXH2 5/20 0.56
MEN1 O00255 5/20 0.52
KMT2A Q03164 5/20 0.52
ALDH1A1 P00352 4/20 0.51
TSHR P16473 2/20 0.50
HTR7 P34969 2/20 0.50
ABCB11 O95342 1/20 0.50
TP53 P04637 1/20 0.50
CYP1A2 P05177 1/20 0.50
CHRM2 P08172 1/20 0.50
CHRM4 P08173 1/20 0.50
HTR1A P08908 1/20 0.50
CHRM5 P08912 1/20 0.50
ADRA2A P08913 1/20 0.50
CYP2D6 P10635 1/20 0.50
CHRM1 P11229 1/20 0.50
DRD2 P14416 1/20 0.50
ADRA2B P18089 1/20 0.50
ADRA2C P18825 1/20 0.50

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
Hydrochloric Acid SCHEMBL7212766 0.99 SETD7 (0.55) SETD7KDM4EMEN1KMT2AALDH1A1
SCHEMBL9034690 0.90 SETD7 (0.62) SETD7KDM4EMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7212607 0.89 SETD7 (0.60) SETD7MEN1KMT2AALDH1A1TSHR
Hydrochloric Acid SCHEMBL7213912 0.87 SETD7 (0.56) SETD7KDM4EMEN1KMT2AALDH1A1
SCHEMBL7218750 0.83 SETD7 (0.56) SETD7KDM4EMEN1KMT2AALDH1A1
SCHEMBL7309767 0.80 SETD7 (0.50) SETD7KDM4EMEN1KMT2AALDH1A1
SCHEMBL7309760 0.80 SETD7 (0.50) SETD7KDM4EMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7212584 0.79 SETD7 (0.49) SETD7KDM4EMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7212580 0.79 SETD7 (0.49) SETD7KDM4EMEN1KMT2AALDH1A1
Hydrochloric Acid SCHEMBL7212397 0.79 SETD7 (0.60) SETD7MEN1KMT2AALDH1A1TSHR

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
EP-0371805-B1 Piperidine derivatives and hypotensives containing the same AJINOMOTO KK (JP) 1996-06-26 EP claimed
US-5229400-A Cardiovascular disorders AJINOMOTO CO., INC. (JP) 1993-07-20 US claimed
EP-0371805-A2 Piperidine derivatives and hypotensives containing the same AJINOMOTO CO., INC. (JP) 1990-06-06 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