SCHEMBL6364886

SCHEMBL6364886

COc1ccc2cnn(CC(C)N)c2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 16/20 1.00
HTR2A P28223 13/20 1.00
HTR2B P41595 7/20 1.00
HTR1A P08908 2/20 0.66
ADRA2A P08913 2/20 0.66
ADRA2B P18089 2/20 0.66
ADRA2C P18825 2/20 0.66
HTR1D P28221 1/20 0.66
HTR7 P34969 1/20 0.66
HTR4 Q13639 1/20 0.66
CHRM2 P08172 3/20 0.53
CHRM1 P11229 3/20 0.53

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
SCHEMBL31079387 1.00 HTR2C (1.00) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL17504260 0.83 HTR2C (0.71) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL31079572 0.83 HTR2C (0.71) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL17504261 0.83 HTR2C (0.71) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL16122771 0.83 HTR2C (0.71) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL7771762 0.82 HTR2C (0.70) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL7767788 0.82 HTR2C (0.70) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL6365952 0.82 HTR2C (0.70) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL6361471 0.81 HTR2C (0.68) HTR2CHTR2AHTR2BHTR1AADRA2A
SCHEMBL10252671 0.81 HTR2A (0.71) HTR2CHTR2AHTR2BHTR1AADRA2A

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
US-6956036-B1 6-hydroxy-indazole derivatives for treating glaucoma ALCON, INC. (CH) 2005-10-18 US disclosed