SCHEMBL8587288

SCHEMBL8587288

CCC1c2ccccc2-c2ccccc21.[LiH]

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.56
GPR3 P46089 2/20 0.44
ACHE P22303 2/20 0.44
BCHE P06276 1/20 0.44
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CHRM2 P08172 1/20 0.41
HTR1A P08908 1/20 0.41
ADRA2A P08913 1/20 0.41
CHRM1 P11229 1/20 0.41
DRD1 P21728 1/20 0.41
SLC6A2 P23975 1/20 0.41
SLC6A4 P31645 1/20 0.41
ADRA1A P35348 1/20 0.41
OPRM1 P35372 1/20 0.41
DRD3 P35462 1/20 0.41
SLC6A3 Q01959 1/20 0.41
HRH3 Q9Y5N1 1/20 0.41
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 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
SCHEMBL633764 0.97 HTR2A (0.58) HTR2AGPR3ACHEBCHECA1
SCHEMBL8586913 0.95 HTR2A (0.56) HTR2AGPR3ACHEBCHECA1
Lithium SCHEMBL8587291 0.95 HTR2A (0.56) HTR2AGPR3ACHEBCHECA1
Potassium SCHEMBL8586916 0.95 HTR2A (0.56) HTR2AGPR3ACHEBCHECA1
Hydrochloric Acid SCHEMBL8174122 0.93 HTR2A (0.54) HTR2AGPR3ACHEBCHECA1
Bicarbonate SCHEMBL29229613 0.87 HTR2A (0.48) HTR2ACA1CA2POLB
Hydrochloric Acid SCHEMBL5352654 0.85 HTR2A (0.47) HTR2AGPR3ACHEBCHECA1
SCHEMBL6903762 0.84 CDC25B (0.46) HTR2ABCHECA1CA2KDM4E
SCHEMBL29366966 0.84 HTR2A (0.40) HTR2AGPR3ACHEBCHEKDM4E
SCHEMBL4607718 0.84

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0813558-A4 NOVEL BLOCK COPOLYMERS AND A NOVEL METHOD FOR PREPARING (CO)POLYMERS HAVING A NARROW MOLECULAR WEIGHT DISTRIBUTION BY METAL-FREE ANIONIC POLYMERISATION IN THE PRESENCE OF A PHOSPHONIUM CATION UNIV SOUTHERN CALIFORNIA (US) 1998-10-14 EP disclosed
EP-0813558-A2 NOVEL BLOCK COPOLYMERS AND A NOVEL METHOD FOR PREPARING (CO)POLYMERS HAVING A NARROW MOLECULAR WEIGHT DISTRIBUTION BY METAL-FREE ANIONIC POLYMERISATION IN THE PRESENCE OF A PHOSPHONIUM CATION THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 1997-12-29 EP disclosed
WO-1996028487-A2 NARROW MOLECULAR WEIGHT DISTRIBUTION BLOCK COPOLYMERS BY METAL-FREE ANIONIC POLYMERIZATION IN THE PRESENCE OF A PHOSPHONIUM CATION THE UNIVERSITY OF SOUTHERN CALIFORNIA (US) 1996-09-19 WO disclosed