SCHEMBL2617889

SCHEMBL2617889

CCCc1c[nH]c2ccc(C[C@H]3COC(=O)N3)cc12

nearest known ligand 0.78

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 15/20 0.78
HTR1B P28222 15/20 0.78
HTR1A P08908 11/20 0.78
HTR2A P28223 5/20 0.78
KMT2A Q03164 1/20 0.78
ADRA1A P35348 1/20 0.78
HTR1F P30939 2/20 0.60
SCN9A Q15858 1/20 0.42
HTR2B P41595 2/20 0.39
HTR2C P28335 1/20 0.39
HTR1E P28566 1/20 0.39
HTR7 P34969 1/20 0.39
HTR3A P46098 1/20 0.39
HTR5A P47898 1/20 0.39
SLC47A1 Q96FL8 1/20 0.39
LMNA P02545 1/20 0.39
ADRA2B P18089 1/20 0.39
KCNH2 Q12809 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
SCHEMBL7811321 0.89 HTR1D (0.75) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL8091337 0.89 HTR1D (0.75) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL7811586 0.89 HTR1D (0.75) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL8091339 0.89 HTR1D (0.75) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL5528416 0.89 HTR1D (0.75) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL8040765 0.88 HTR1D (0.81) HTR1DHTR1BHTR1AHTR2AKMT2A
SCHEMBL8040759 0.88 HTR1D (0.81) HTR1DHTR1BHTR1AHTR2AKMT2A
Zolmitriptan SCHEMBL40595 0.88 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2AKMT2A
Zolmitriptan SCHEMBL33336 0.88 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2AKMT2A
Zolmitriptan SCHEMBL14861150 0.88 HTR1D (1.00) HTR1DHTR1BHTR1AHTR2AKMT2A

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-2444072-A2 Non-mucoadhesive film dosage forms Labtec GmbH (DE) 2012-04-25 EP disclosed
EP-2248519-A2 Non-mucoadhesive film dosage forms Labtec GmbH (DE) 2010-11-10 EP disclosed
WO-2008040534-A2 NON-MUCOADHESIVE FILM DOSAGE FORMS LABTEC Gesellschaft für technologische Forschung und Entwicklung mbH (DE) 2008-04-10 WO disclosed
WO-2007127207-A2 FIXED COMBINATION DOSAGE FORMS FOR THE TREATMENT OF MIGRAINE PROETHIC PHARMACEUTICALS, INC. (US) 2007-11-08 WO disclosed