SCHEMBL7000780

SCHEMBL7000780

CC(CN)c1c[nH]c2ccc3c(c12)CCCO3

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 12/20 0.63
HTR2B P41595 10/20 0.63
HTR2A P28223 10/20 0.63
HTR1A P08908 7/20 0.63
HTR1D P28221 6/20 0.63
HTR6 P50406 3/20 0.63
HTR4 Q13639 3/20 0.63
HTR1B P28222 2/20 0.63
HTR7 P34969 2/20 0.63
ADRA2A P08913 1/20 0.63
ADRA2C P18825 1/20 0.63
HTR3E A5X5Y0 1/20 0.34
HTR3B O95264 1/20 0.34
HTR1E P28566 1/20 0.34
HTR1F P30939 1/20 0.34
HTR3A P46098 1/20 0.34
HTR5A P47898 1/20 0.34
HTR3D Q70Z44 1/20 0.34
HTR3C Q8WXA8 1/20 0.34
MTNR1A P48039 2/20 0.33

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
SCHEMBL7002281 1.00 HTR2C (0.63) HTR2CHTR2BHTR2AHTR1AHTR1D
Hydrochloric Acid SCHEMBL6996518 0.99 HTR2C (0.62) HTR2CHTR2BHTR2AHTR1AHTR1D
SCHEMBL6094978 0.78 HTR2C (1.00) HTR2CHTR2BHTR2AHTR1AHTR1D
SCHEMBL5936562 0.78 HTR2C (1.00) HTR2CHTR2BHTR2AHTR1AHTR1D
SCHEMBL6092065 0.78 HTR2C (1.00) HTR2CHTR2BHTR2AHTR1AHTR1D
SCHEMBL30390274 0.78 HTR2C (1.00) HTR2CHTR2BHTR2AHTR1AHTR1D
Hydrochloric Acid SCHEMBL6092175 0.77 HTR2C (0.98) HTR2CHTR2BHTR2AHTR1AHTR1D
SCHEMBL6205030 0.77 HTR2C (0.50) HTR2CHTR2BHTR2AHTR1AHTR1D
Hydrochloric Acid SCHEMBL6093427 0.77 HTR2C (0.98) HTR2CHTR2BHTR2AHTR1AHTR1D
Hydrochloric Acid SCHEMBL6095848 0.77 HTR2C (0.98) HTR2CHTR2BHTR2AHTR1AHTR1D

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1268482-A1 PYRANOINDOLES FOR TREATING GLAUCOMA Alcon Universal, Ltd. (CH) 2003-01-02 EP claimed
WO-2001070745-A1 PYRANOINDOLES FOR TREATING GLAUCOMA ALCON, INC. (CH) 2001-09-27 WO claimed