SCHEMBL7878058

SCHEMBL7878058

CNC(N)=NC(=O)c1cc2c(C(F)(F)F)ccc(Oc3ccc(CN(C)C)cc3)c2[nH]1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.41
SLC6A2 P23975 5/20 0.41
ROCK2 O75116 1/20 0.35
SCN9A Q15858 1/20 0.35
NR3C1 P04150 2/20 0.35
SLC6A3 Q01959 3/20 0.35
HTR2A P28223 1/20 0.34
FFAR1 O14842 1/20 0.33
RHEB Q15382 1/20 0.32
LSS P48449 1/20 0.32
BRAF P15056 1/20 0.32
SLC2A1 P11166 1/20 0.32
LPAR1 Q92633 1/20 0.32
LPAR5 Q9H1C0 1/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 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
SCHEMBL7873762 0.91 SCN9A (0.37) SLC6A4SLC6A2SCN9ANR3C1FFAR1
SCHEMBL7873817 0.91 SLC6A4 (0.37) SLC6A4SLC6A2SCN9ASLC6A3BRAF
SCHEMBL7877633 0.91 SLC6A2 (0.36) SLC6A4SLC6A2ROCK2SCN9ABRAF
SCHEMBL7880732 0.90 FFAR1 (0.35) SLC6A4SLC6A2SCN9AFFAR1RHEB
SCHEMBL7877971 0.89 RXRA (0.37) SLC6A4SLC6A2ROCK2FFAR1RHEB
SCHEMBL7882026 0.87 SLC6A4 (0.43) SLC6A4SLC6A2ROCK2SLC6A3HTR2A
SCHEMBL7880924 0.87 FFAR1 (0.36) SLC6A4SLC6A2FFAR1RHEBBRAF
Hydrochloric Acid SCHEMBL7881837 0.86 SLC6A4 (0.43) SLC6A4SLC6A2ROCK2SLC6A3HTR2A
Hydrochloric Acid SCHEMBL7881497 0.86 FFAR1 (0.36) SLC6A4SLC6A2FFAR1RHEBBRAF
SCHEMBL7882375 0.86 FFAR1 (0.39) FFAR1RHEBALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6248772-B1 HYPOTENSIVE AGENTS; ANTIARRHYTHMIA AGENTS; ANTIDIABETIC AGENTS; ANTIPROLIFERATIVE AGENTS SUMITOMO PHARMACEUTICALS CO., LTD. (JP) 2001-06-19 US disclosed
US-6169107-B1 USEFUL FOR THE TREATMENT AND PREVENTION OF DISEASES CAUSED BY INCREASED SODIUM/PROTON (NA.SUP.+ /H.SUP.+) EXCHANGER ACTIVITY, FOR EXAMPLE, HYPERTENSION, ARRHYTHMIA, ANGINA PECTORIS, CARDIAC HYPERTROPHY, DIABETES MELLITUS SUMITOMO PHARMACEUTICAL CO., LTD. (JP) 2001-01-02 US disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed