SCHEMBL5260469

SCHEMBL5260469

CCOC(=O)c1nnn2c1ccc1c(CCN3CCC(c4cccc5nc(C)ccc45)CC3)cccc12

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 12/20 0.51
HTR1D P28221 12/20 0.51
SLC6A4 P31645 11/20 0.51
KCNH2 Q12809 10/20 0.51
HTR1B P28222 10/20 0.45
CYP2C9 P11712 1/20 0.45
RXFP1 Q9HBX9 3/20 0.41
MAPT P10636 2/20 0.40
NPSR1 Q6W5P4 1/20 0.40
PKM P14618 1/20 0.40
KDM4E B2RXH2 2/20 0.39
HRH1 P35367 2/20 0.38
CYP2C19 P33261 1/20 0.37

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
Hydrochloric Acid SCHEMBL425995 0.99 HTR1A (0.50) HTR1AHTR1DSLC6A4KCNH2HTR1B
SCHEMBL430293 0.93 HTR1A (0.51) HTR1AHTR1DSLC6A4KCNH2HTR1B
SCHEMBL10212541 0.92 HTR1A (0.55) HTR1AHTR1DSLC6A4KCNH2HTR1B
Ammonia Solution, Strong SCHEMBL430279 0.91 HTR1A (0.54) HTR1AHTR1DSLC6A4KCNH2HTR1B
SCHEMBL429284 0.91 HTR1A (0.53) HTR1AHTR1DSLC6A4KCNH2HTR1B
SCHEMBL10212574 0.91 HTR1A (0.53) HTR1AHTR1DSLC6A4KCNH2HTR1B
Hydrochloric Acid SCHEMBL428492 0.90 HTR1A (0.53) HTR1AHTR1DSLC6A4KCNH2HTR1B
SCHEMBL427160 0.87 HTR1A (0.51) HTR1AHTR1DSLC6A4KCNH2HTR1B
SCHEMBL430216 0.86 HTR1A (0.51) HTR1AHTR1DSLC6A4KCNH2HTR1B
Hydrochloric Acid SCHEMBL430255 0.86 HTR1A (0.51) HTR1AHTR1DSLC6A4KCNH2HTR1B

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-1786822-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2007-05-23 EP disclosed
WO-2006024517-A1 FUSED TRICYCLIC DERIVATIVES FOR THE TREATMENT OF PSYCHOTIC DISORDERS GLAXO GROUP LIMITED (GB) 2006-03-09 WO disclosed