SCHEMBL6094978

SCHEMBL6094978

C[C@@H](N)Cc1c[nH]c2ccc3c(c12)CCCO3

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 10/20 1.00
HTR2B P41595 9/20 1.00
HTR2A P28223 9/20 1.00
HTR1A P08908 7/20 1.00
HTR1D P28221 5/20 1.00
HTR6 P50406 3/20 1.00
HTR1B P28222 3/20 1.00
HTR4 Q13639 2/20 1.00
ADRA2A P08913 2/20 1.00
HTR7 P34969 2/20 1.00
ADRA2C P18825 1/20 1.00
ALDH1A1 P00352 1/20 0.51
MAPT P10636 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
ADRB1 P08588 1/20 0.42
SLC6A2 P23975 1/20 0.42
HTR1E P28566 1/20 0.42
SLC6A4 P31645 1/20 0.42
SLC6A3 Q01959 1/20 0.42

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
SCHEMBL6092065 1.00 HTR2C (1.00) HTR2CHTR2BHTR2AHTR1AHTR1D
SCHEMBL5936562 1.00 HTR2C (1.00) HTR2CHTR2BHTR2AHTR1AHTR1D
SCHEMBL30390274 1.00 HTR2C (1.00) HTR2CHTR2BHTR2AHTR1AHTR1D
Hydrochloric Acid SCHEMBL6092175 0.99 HTR2C (0.98) HTR2CHTR2BHTR2AHTR1AHTR1D
Hydrochloric Acid SCHEMBL6093427 0.99 HTR2C (0.98) HTR2CHTR2BHTR2AHTR1AHTR1D
Hydrochloric Acid SCHEMBL6095848 0.99 HTR2C (0.98) HTR2CHTR2BHTR2AHTR1AHTR1D
Maleic Acid SCHEMBL6093195 0.90 HTR2C (0.82) HTR2CHTR2BHTR2AHTR1AHTR1D
Fumaric Acid SCHEMBL6093200 0.90 HTR2C (0.82) HTR2CHTR2BHTR2AHTR1AHTR1D
SCHEMBL6104548 0.88 HTR2C (0.78) HTR2CHTR2BHTR2AHTR1AHTR1D
SCHEMBL6104539 0.88 HTR2C (0.78) 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
US-7012090-B1 such as 1-(2-aminopropyl)-3,7,8,9,-tetrahydro-pyrano-[3,2-e]indol-8-ol ALCON, INC. (CH) 2006-03-14 US claimed
EP-1268482-B1 PYRANOINDOLES FOR TREATING GLAUCOMA ALCON INC (CH) 2003-09-24 EP claimed
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