SCHEMBL7963222

SCHEMBL7963222

Cn1c(COc2ccccc2CN2CCCCC2)cc2ccccc21

nearest known ligand 0.50

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
KCNH2 Q12809 2/20 0.46
SCN9A Q15858 2/20 0.46
HTR1A P08908 4/20 0.43
HTR2B P41595 4/20 0.43
DRD2 P14416 3/20 0.43
NPY1R P25929 1/20 0.43
FAAH O00519 1/20 0.42
HRH1 P35367 4/20 0.41
DRD1 P21728 1/20 0.41
DRD4 P21917 1/20 0.41
DRD5 P21918 1/20 0.41
DRD3 P35462 1/20 0.41
MAPT P10636 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
ALDH1A1 P00352 1/20 0.40

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
SCHEMBL807593 0.80 FAAH (0.57) FAAHHCRTR1HCRTR2ALDH1A1
SCHEMBL7948957 0.72 RXRA (0.46) HCRTR1HCRTR2
SCHEMBL12073902 0.71 HTR1A (0.60) MEN1KMT2AHTR1AHTR2BDRD2
SCHEMBL3161038 0.70 MEN1 (0.82) MEN1KMT2ADRD2HRH1DRD4
SCHEMBL7959109 0.69 TP53 (0.53) HTR1ADRD2NPY1RMAPT
SCHEMBL14367888 0.68 NPC1 (0.48) KMT2A
SCHEMBL13284339 0.68 MEN1 (0.79) MEN1KMT2AHTR1AHTR2BDRD2
SCHEMBL1143420 0.68 MAPT (0.68) MEN1KMT2AHTR1AHTR2BDRD2
SCHEMBL4818709 0.68 KDM4E (0.58) KMT2AHTR1ADRD2HRH1DRD4
SCHEMBL10103770 0.67 IDH1 (0.48) KCNH2HCRTR1HCRTR2

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
US-6245761-B1 NERVOUS SYSTEM, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY 2001-06-12 US claimed
US-6245761-B1 NERVOUS SYSTEM, CARDIOVASCULAR AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY 2001-06-12 US disclosed