SCHEMBL9511602

SCHEMBL9511602

CCN(CC)CCCCI

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.40
HRH4 Q9H3N8 2/20 0.35
HRH3 Q9Y5N1 2/20 0.35
SLC2A1 P11166 1/20 0.34
ALDH1A1 P00352 2/20 0.34
KCNH2 Q12809 2/20 0.33
SLC6A2 P23975 2/20 0.33
SLC6A4 P31645 2/20 0.33
CHRM2 P08172 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CHRM1 P11229 1/20 0.33
DRD1 P21728 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
SLC6A3 Q01959 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
APOBEC3A P31941 1/20 0.32
APOBEC3G Q9HC16 1/20 0.32

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
SCHEMBL27054138 0.97 SIGMAR1 (0.39) SIGMAR1HRH4HRH3SLC2A1ALDH1A1
Iodide SCHEMBL10703817 0.97 SIGMAR1 (0.39) SIGMAR1HRH4HRH3SLC2A1ALDH1A1
SCHEMBL19634654 0.97 SIGMAR1 (0.39) SIGMAR1HRH4HRH3SLC2A1ALDH1A1
SCHEMBL10370166 0.91
SCHEMBL15052279 0.84 SIGMAR1 (0.48) SIGMAR1HRH4HRH3SLC2A1ALDH1A1
SCHEMBL234338 0.84 SIGMAR1 (0.48) SIGMAR1HRH4HRH3SLC2A1ALDH1A1
SCHEMBL2564528 0.81 SIGMAR1 (0.46) SIGMAR1HRH4HRH3SLC2A1ALDH1A1
SCHEMBL2142541 0.81 SIGMAR1 (0.46) SIGMAR1HRH4HRH3SLC2A1ALDH1A1
SCHEMBL2137948 0.81 SIGMAR1 (0.46) SIGMAR1HRH4HRH3SLC2A1ALDH1A1
SCHEMBL1313942 0.81 SIGMAR1 (0.46) SIGMAR1HRH4HRH3SLC2A1ALDH1A1

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2646043-B1 NOVEL CYCLOSPORIN DERIVATIVES FOR THE TREATMENT AND PREVENTION OF A VIRAL INFECTION S&T GLOBAL INC (US) 2017-02-15 EP disclosed
WO-2015196072-A2 USES OF KINASE INHIBITORS FOR INDUCING AND MAINTAINING PLURIPOTENCY WHITEHEAD INSTITUTE FOR BIOMEDICAL RESEARCH (US) 2015-12-23 WO disclosed
EP-0331472-B1 Dialkylaminoalkyl-hydroxyalkyl ethers of polygalactomannans STEIN HALL & CO INC (US) 1993-11-03 EP disclosed
US-4941537-A ADDING ALKALI METAL OR ALKALINE METAL HYPOCHLOROUS ACID SALTS OR CHLORINATED ISOCYANURATES TO THIN TERT-AMINO POLYGALACTOMAN NANS HI-TEK POLYMERS, INC. (US) 1990-07-17 US disclosed
US-4918181-A Tertiaryaminoalkyl-hydroxyalkyl ethers of polygalactomannans RHODIA INC. 1990-04-17 US disclosed
EP-0331472-A2 Dialkylaminoalkyl-hydroxyalkyl ethers of polygalactomannans STEIN, HALL & CO., INC. (US) 1989-09-06 EP disclosed
EP-0330489-A2 Method for reducing the viscosity of aqueous fluids STEIN, HALL & CO., INC. (US) 1989-08-30 EP disclosed