SCHEMBL7300258

SCHEMBL7300258

c1ccc2c(c1)Sc1ccccc1C2=C1CCN(CCCCC2CCCCC2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SETD7 Q8WTS6 3/20 0.52
DRD3 P35462 2/20 0.52
CHRM2 P08172 1/20 0.52
HTR1A P08908 1/20 0.52
ADRA2A P08913 1/20 0.52
ADORA3 P0DMS8 1/20 0.52
CYP2D6 P10635 1/20 0.52
CHRM1 P11229 1/20 0.52
DRD1 P21728 1/20 0.52
TBXA2R P21731 1/20 0.52
SLC6A2 P23975 1/20 0.52
SLC6A4 P31645 1/20 0.52
CYP2C19 P33261 1/20 0.52
ADRA1A P35348 1/20 0.52
OPRM1 P35372 1/20 0.52
SLC6A3 Q01959 1/20 0.52
KCNH2 Q12809 1/20 0.52
CYP3A4 P08684 1/20 0.44
HTT P42858 1/20 0.44
SIGMAR1 Q99720 3/20 0.39

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
SCHEMBL7309692 0.85 SETD7 (0.51) SETD7DRD3CHRM2HTR1AADRA2A
SCHEMBL7306822 0.84 SETD7 (0.45) SETD7SIGMAR1KDM1AS1PR5ATM
SCHEMBL7300338 0.84 SETD7 (0.64) SETD7DRD3CHRM2HTR1AADRA2A
SCHEMBL9035322 0.83 SETD7 (0.66) SETD7DRD3CHRM2HTR1AADRA2A
SCHEMBL9034738 0.83 SETD7 (0.66) SETD7DRD3CHRM2HTR1AADRA2A
SCHEMBL9034364 0.83 SETD7 (0.66) SETD7DRD3CHRM2HTR1AADRA2A
SCHEMBL7307090 0.83 SETD7 (0.52) SETD7SIGMAR1KDM1AS1PR5ATM
Hydrochloric Acid SCHEMBL7213749 0.83 SETD7 (0.62) SETD7DRD3CHRM2HTR1AADRA2A
SCHEMBL7309778 0.83 SETD7 (0.66) SETD7DRD3CHRM2HTR1AADRA2A
Hydrochloric Acid SCHEMBL7217685 0.82 SETD7 (0.65) SETD7DRD3CHRM2HTR1AADRA2A

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
EP-0371805-B1 Piperidine derivatives and hypotensives containing the same AJINOMOTO KK (JP) 1996-06-26 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