SCHEMBL6515828

SCHEMBL6515828

Cc1ccc2c(N3CCN(CCc4cccc5c4OCC(=O)N5C)C(C)C3)cccc2n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 20/20 1.00
HTR1D P28221 20/20 1.00
SLC6A4 P31645 20/20 1.00
HTR1B P28222 18/20 1.00
KCNH2 Q12809 18/20 1.00

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
SCHEMBL4174506 1.00 HTR1A (1.00) HTR1AHTR1DSLC6A4HTR1BKCNH2
SCHEMBL4179650 1.00 HTR1A (1.00) HTR1AHTR1DSLC6A4HTR1BKCNH2
Hydrochloric Acid SCHEMBL4176346 0.99 HTR1A (0.98) HTR1AHTR1DSLC6A4HTR1BKCNH2
SCHEMBL4182250 0.86 HTR1D (1.00) HTR1AHTR1DSLC6A4HTR1BKCNH2
Hydrochloric Acid SCHEMBL4182287 0.85 HTR1D (0.98) HTR1AHTR1DSLC6A4HTR1BKCNH2
SCHEMBL10212145 0.84 HTR1A (0.76) HTR1AHTR1DSLC6A4HTR1BKCNH2
Hydrochloric Acid SCHEMBL431744 0.84 HTR1A (0.75) HTR1AHTR1DSLC6A4HTR1BKCNH2
SCHEMBL10212447 0.84 HTR1A (0.77) HTR1AHTR1DSLC6A4HTR1BKCNH2
Hydrochloric Acid SCHEMBL432604 0.83 HTR1A (0.75) HTR1AHTR1DSLC6A4HTR1BKCNH2
SCHEMBL430808 0.82 HTR1A (0.70) HTR1AHTR1DSLC6A4HTR1BKCNH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562917-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2005-08-17 EP disclosed
WO-2004046124-A1 BENZOXAZINONE DERIVATIVES, PREPARATION THEREOF AND USES IN THE TREATMENT OF CNS AND OTHER DISORDERS GLAXO GROUP LIMITED (GB) 2004-06-03 WO disclosed