SCHEMBL6203362

SCHEMBL6203362

C#CCOc1ccc2cnn(CCN(C)C(=O)O)c2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMO O15229 6/20 0.42
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38
MCHR1 Q99705 3/20 0.37
KCNH2 Q12809 1/20 0.37
MAOA P21397 1/20 0.37
MAOB P27338 1/20 0.37
HTR2A P28223 1/20 0.37
HTR2C P28335 1/20 0.37
HTR2B P41595 1/20 0.37
CA12 O43570 2/20 0.36
CA4 P22748 2/20 0.36
CA9 Q16790 2/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
CA1 P00915 1/20 0.36
MCHR2 Q969V1 1/20 0.36
MTNR1A P48039 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL5787393 0.76 KMO (0.47) KMOCHRM2CHRM1MAOAMAOB
SCHEMBL27165382 0.69 HTR2A (0.59) KMOCHRM2CHRM1MCHR1KCNH2
SCHEMBL5782917 0.67 CHRM2 (0.46) KMOCHRM2CHRM1MAOAMAOB
SCHEMBL5782920 0.67 CHRM2 (0.46) KMOCHRM2CHRM1MAOAMAOB
SCHEMBL30622589 0.67 KMO (0.51) KMOMCHR1KCNH2HTR2AHTR2C
SCHEMBL15825245 0.65 KDM4E (0.55) KDM4E
SCHEMBL9061932 0.64 CA12 (0.64) MAOAMAOBCA12CA4CA9
SCHEMBL31079475 0.64 HTR2A (0.66) KMOMCHR1KCNH2HTR2AHTR2C
SCHEMBL6070011 0.64 HTR2A (0.47) KMOMCHR1KCNH2HTR2AHTR2C
SCHEMBL30816402 0.64 HTR2A (0.62) KMOCHRM2CHRM1MCHR1HTR2A

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
EP-1513521-A2 PYRANOINDAZOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA Alcon, Inc. (CH) 2005-03-16 EP disclosed
EP-1392292-A4 PYRANOINDAZOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA ALCON INC (CH) 2004-08-11 EP disclosed
EP-1392292-A2 PYRANOINDAZOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA Alcon, Inc. (CH) 2004-03-03 EP disclosed
WO-2003101379-A2 PYRANOINDAZOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2003-12-11 WO disclosed
WO-2002098350-A2 PYRANOINDAZOLES AND THEIR USE FOR THE TREATMENT OF GLAUCOMA ALCON, INC. (CH) 2002-12-12 WO disclosed