SCHEMBL4405530

SCHEMBL4405530

NCCCCN1CC=Cc2ccccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.41
HTR2A P28223 2/20 0.39
GRIN1 Q05586 3/20 0.39
GRIN2A Q12879 3/20 0.39
GRIN2B Q13224 3/20 0.39
SIGMAR1 Q99720 3/20 0.37
MAOA P21397 1/20 0.35
CHRM2 P08172 1/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
CHRM1 P11229 1/20 0.34
DRD2 P14416 1/20 0.34
ADRA2B P18089 1/20 0.34
ADRA2C P18825 1/20 0.34
DRD1 P21728 1/20 0.34
PTGS1 P23219 1/20 0.34
SLC6A2 P23975 1/20 0.34
SLC6A4 P31645 1/20 0.34
ADRA1A P35348 1/20 0.34
HRH1 P35367 1/20 0.34

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
SCHEMBL6902153 0.88 HTR2A (0.35) PIM1HTR2AGRIN1GRIN2AGRIN2B
SCHEMBL5668191 0.84 KDM4E (0.40) HTR1AMEN1KMT2ACYP2D6
SCHEMBL31202626 0.83 KDM4E (0.42) HTR1AMEN1KMT2ACYP2D6
SCHEMBL9158078 0.83 KDM4E (0.42) HTR1AMEN1KMT2ACYP2D6
SCHEMBL16836340 0.82 DRD2 (0.37) HTR2ASIGMAR1CHRM2HTR1AADRA2A
SCHEMBL29984959 0.81 CHRM2 (0.33) HTR2ASIGMAR1CHRM2HTR1AADRA2A
Iodide SCHEMBL31598452 0.81 KDM4E (0.41) HTR1AMEN1KMT2ACYP2D6
Bromide SCHEMBL28420922 0.81 ALDH1A1 (0.44) HTR1AMEN1KMT2ACYP2D6
Iodide SCHEMBL31603902 0.81 KDM4E (0.41) HTR1AMEN1KMT2ACYP2D6
Bromide SCHEMBL31186953 0.81 ALDH1A1 (0.44) HTR1AMEN1KMT2ACYP2D6

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-3946635-A2 LOCALLY ACTING TOLL-LIKE RECEPTOR 7 (TLR7) AND/OR TLR8 AGONIST IMMUNOTHERAPY COMPOUNDS AND THEIR USES ALTIMMUNE UK LIMITED (GB) 2022-02-09 EP disclosed
WO-2020205996-A2 LOCALLY ACTING TOLL-LIKE RECEPTOR 7 (TLR7) AND/OR TLR8 AGONIST IMMUNOTHERAPY COMPOUNDS AND THEIR USES ALTIMMUNE UK LTD (GB) 2020-10-08 WO disclosed
US-20090325108-A1 COLOR PHOTOGRAPHIC MATERIALS WITH MAGENTA MINIMUM DENSITY DYES LASER PACIFIC MEDIA CORPORATION 2009-12-31 US disclosed
US-7632632-B1 Color photographic materials with magenta minimum density dyes EASTMAN KODAK COMPANY (US) 2009-12-15 US disclosed