SCHEMBL27561127

SCHEMBL27561127

CC(N)Cn1ncc2ccc(-c3ccccc3O)cc21

nearest known ligand 0.64

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 15/20 0.64
▸ HTR2C P28335 15/20 0.64
▸ HTR2B P41595 7/20 0.64
▸ HTR1A P08908 2/20 0.64
▸ ADRA2A P08913 2/20 0.64
▸ ADRA2B P18089 2/20 0.64
▸ ADRA2C P18825 2/20 0.64
▸ HTR1D P28221 1/20 0.64
▸ HTR7 P34969 1/20 0.64
▸ HTR4 Q13639 1/20 0.64
▸ KMO O15229 2/20 0.42
▸ ESR2 Q92731 1/20 0.40
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39

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
SCHEMBL27561126 0.82 HTR2A (0.80) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL6088764 0.79 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL31079586 0.79 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL4779282 0.79 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL475894 0.79 HTR2A (1.00) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL27595534 0.76 METAP2 (0.39) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL27649403 0.76 HTR2C (0.57) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL10252671 0.74 HTR2A (0.71) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL8007544 0.73 HTR2C (0.69) HTR2AHTR2CHTR2BHTR1AADRA2A
SCHEMBL8009907 0.73 HTR2C (0.69) HTR2AHTR2CHTR2BHTR1AADRA2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1231214-C 5HT2 agonists for controlling IOP and treating glaucoma ALCON LTD (CH) 2005-12-14 — — CN claimed
CN-1450897-A 5HT for controlling IOP and treating glaucoma2Stimulants ALCON UNIVERSAL LTD (CH) 2003-10-22 — — CN claimed
CN-1231214-C 5HT2 agonists for controlling IOP and treating glaucoma ALCON LTD (CH) 2005-12-14 — — CN disclosed
CN-1450995-A 5-hydroxy indazole derivatives for treating glaucoma ALCON AG (CH) 2003-10-22 — — CN disclosed
CN-1450897-A 5HT for controlling IOP and treating glaucoma2Stimulants ALCON UNIVERSAL LTD (CH) 2003-10-22 — — CN disclosed
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