SCHEMBL11340366

SCHEMBL11340366

COC(=Nc1ccccc1Cl)N(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.48
HTR3B O95264 2/20 0.48
HTR3A P46098 2/20 0.48
HTR3D Q70Z44 2/20 0.48
HTR3C Q8WXA8 2/20 0.48
ALDH1A1 P00352 4/20 0.45
TAAR1 Q96RJ0 1/20 0.43
NOS3 P29474 2/20 0.42
NOS1 P29475 2/20 0.42
NOS2 P35228 2/20 0.42
ESR1 P03372 2/20 0.42
ESR2 Q92731 2/20 0.42
GAA P10253 1/20 0.39
MAPT P10636 1/20 0.39
ALOX12 P18054 1/20 0.39
MAPK1 P28482 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SIGMAR1 Q99720 2/20 0.39
KDM4E B2RXH2 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
SCHEMBL8334204 0.70 HTR3E (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL134870 0.70 HTR3E (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5934100 0.70 HTR3E (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1116448 0.70 HTR3E (0.61) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL24456383 0.69 HTR3E (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
Hydrochloric Acid SCHEMBL2861960 0.67 HTR3E (0.69) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL11404073 0.67 HTR3E (0.43) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5241540 0.66 HTR3E (1.00) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL3105426 0.66 HTR3E (0.45) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL5150495 0.66 HTR3E (0.42) HTR3EHTR3BHTR3AHTR3DHTR3C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0026034-A1 5-Amino-4-cyano-1-(2,4,6-trichlorophenyl)pyrazole, process for its preparation, herbicidal compositions containing it and their use FBC LIMITED (GB) 1981-04-01 EP disclosed