SCHEMBL6205030

SCHEMBL6205030

C[C@@H](CN)c1n[nH]c2ccc3c(c12)CCCO3

nearest known ligand 0.50

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 0.50
HTR2B P41595 8/20 0.50
HTR2A P28223 8/20 0.50
HTR1A P08908 6/20 0.50
HTR1D P28221 5/20 0.50
HTR6 P50406 2/20 0.50
HTR4 Q13639 2/20 0.50
ADRA2A P08913 1/20 0.50
ADRA2C P18825 1/20 0.50
HTR1B P28222 1/20 0.50
HTR7 P34969 1/20 0.50
MTNR1A P48039 2/20 0.33
MTNR1B P49286 1/20 0.33
PRMT5 O14744 1/20 0.31
WDR77 Q9BQA1 1/20 0.31
NOTUM Q6P988 1/20 0.30

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 SCHEMBL6202353 0.99 HTR2C (0.49) HTR2CHTR2BHTR2AHTR1AHTR1D
SCHEMBL6748800 0.78 HTR2C (0.62) HTR2CHTR2BHTR2AHTR1AHTR1D
Hydrochloric Acid SCHEMBL6751698 0.77 HTR2C (0.61) HTR2CHTR2BHTR2AHTR1AHTR1D
SCHEMBL7000780 0.77 HTR2C (0.63) HTR2CHTR2BHTR2AHTR1AHTR1D
SCHEMBL7002281 0.77 HTR2C (0.63) HTR2CHTR2BHTR2AHTR1AHTR1D
Hydrochloric Acid SCHEMBL6996518 0.76 HTR2C (0.62) HTR2CHTR2BHTR2AHTR1AHTR1D
SCHEMBL26131147 0.73 HTR2C (0.46) HTR2CHTR2BHTR2AHTR1AHTR1D
SCHEMBL7001928 0.68 HTR2C (0.67) HTR2CHTR2BHTR2AHTR1AHTR1D
SCHEMBL6092065 0.67 HTR2C (1.00) HTR2CHTR2BHTR2AHTR1AHTR1D
SCHEMBL30390274 0.67 HTR2C (1.00) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1513521-A2 PYRANOINDAZOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA Alcon, Inc. (CH) 2005-03-16 EP claimed
WO-2003101379-A2 PYRANOINDAZOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2003-12-11 WO claimed
EP-1513521-A2 PYRANOINDAZOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA Alcon, Inc. (CH) 2005-03-16 EP disclosed
WO-2003101379-A2 PYRANOINDAZOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2003-12-11 WO disclosed