SCHEMBL6515487

SCHEMBL6515487

Cc1ccc2c(N3CCN(CC(O)c4ccc5c(c4)NC(=O)OC5)CC3)c(F)ccc2n1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.40
HTR1D P28221 15/20 0.40
HTR1B P28222 14/20 0.40
SLC6A4 P31645 11/20 0.40
KCNH2 Q12809 5/20 0.36
DRD2 P14416 2/20 0.36
HTR2A P28223 2/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
KCNJ1 P48048 2/20 0.35
ALDH1A1 P00352 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL4174721 0.86 HTR1D (0.53) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL4173595 0.79 HTR1D (0.53) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL4177900 0.71 HTR1A (0.71) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL2304612 0.71 HTR1A (0.72) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL2307450 0.71 HTR1A (0.71) HTR1AHTR1DHTR1BSLC6A4KCNH2
Hydrochloric Acid SCHEMBL4167412 0.70 HTR1A (0.71) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL4170651 0.70 HTR1A (0.71) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL4169062 0.69 HTR1A (0.59) HTR1AHTR1DHTR1BSLC6A4KCNH2
SCHEMBL4183122 0.69 HTR1D (0.63) HTR1AHTR1DHTR1BSLC6A4KCNH2
Hydrochloric Acid SCHEMBL4185460 0.69 HTR1A (0.58) HTR1AHTR1DHTR1BSLC6A4KCNH2

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