SCHEMBL4622740

SCHEMBL4622740

CCC[N-]CCC.CCC[N-]CCC.[Ti+2]C1C=Cc2ccccc21

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 1/20 0.38
HTR2A P28223 2/20 0.35
SIGMAR1 Q99720 6/20 0.34
KDM4E B2RXH2 2/20 0.33
LMNA P02545 1/20 0.33
TP53 P04637 1/20 0.33
CHRM2 P08172 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD2 P14416 1/20 0.33
ADRA2B P18089 1/20 0.33
ADRA2C P18825 1/20 0.33
NFKB1 P19838 1/20 0.33
CHRM3 P20309 1/20 0.33
SLC6A2 P23975 1/20 0.33
HTR2C P28335 1/20 0.33
ADRA1A P35348 1/20 0.33
HRH1 P35367 1/20 0.33
DRD3 P35462 1/20 0.33

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 SCHEMBL3761120 0.81 HTR2A (0.40) HTR6HTR2ASIGMAR1KDM4ELMNA
Hydrochloric Acid SCHEMBL29723413 0.81 HTR2A (0.40) HTR6HTR2ASIGMAR1KDM4ELMNA
Fluoride Ion SCHEMBL5183865 0.81 HTR2A (0.40) HTR6HTR2ASIGMAR1KDM4ELMNA
Hydrochloric Acid SCHEMBL6909925 0.79 HTR2A (0.39) HTR6HTR2ASIGMAR1KDM4ELMNA
Butyramide SCHEMBL9314122 0.76 EGFR (0.32) HTR6HTR2AKDM4ELMNARET
SCHEMBL29821974 0.72 HTR6 (0.51) HTR6HTR2ASIGMAR1KDM4ELMNA
SCHEMBL29646288 0.71 HTR6 (0.50) HTR6HTR2ASIGMAR1KDM4ELMNA
SCHEMBL22452025 0.71 HTR6 (0.50) HTR6HTR2ASIGMAR1KDM4ELMNA
SCHEMBL1539577 0.71 HTR6 (0.50) HTR6HTR2ASIGMAR1KDM4ELMNA
SCHEMBL9314124 0.70 HTR6 (0.34) HTR6HTR2ASIGMAR1KDM4ELMNA

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-1285944-B1 PROCESS FOR PRODUCING COLORED RESIN COMPOSITION AND UTILIZATION THEREOF TOYO INK MFG CO (JP) 2008-04-02 EP disclosed
US-7001937-B2 Process for producing colored resin composition and utilization thereof TOYO INK MFG. CO., LTD. (JP) 2006-02-21 US disclosed
US-20030100633-A1 Process for producing colored resin composition and utilization thereof TOYO INK MFG. CO., LTD. (JP) 2003-05-29 US disclosed
EP-1285944-A1 PROCESS FOR PRODUCING COLORED RESIN COMPOSITION AND UTILIZATION THEREOF TOYO INK MFG. CO., LTD. (JP) 2003-02-26 EP disclosed