SCHEMBL7878053

SCHEMBL7878053

CN(C)Cc1ccc(Oc2ccc(C(F)(F)F)c3cc(C(=O)N(C)C(=N)N)[nH]c23)cc1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.40
SLC6A2 P23975 5/20 0.40
SCN9A Q15858 1/20 0.36
HTR2A P28223 1/20 0.35
ROCK2 O75116 1/20 0.35
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
LPAR1 Q92633 3/20 0.34
LPAR5 Q9H1C0 3/20 0.34
FFAR1 O14842 1/20 0.34
NR3C1 P04150 2/20 0.34
SLC6A3 Q01959 3/20 0.34
F3 P13726 1/20 0.33
RHEB Q15382 1/20 0.33
BRAF P15056 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
SCHEMBL7873759 0.92 SCN9A (0.37) SLC6A4SLC6A2SCN9AMEN1KMT2A
SCHEMBL7880729 0.92 FFAR1 (0.35) SLC6A4SLC6A2SCN9ALPAR1LPAR5
SCHEMBL7873809 0.90 SLC6A4 (0.35) SLC6A4SLC6A2SCN9AHTR2AFFAR1
SCHEMBL7877628 0.90 F10 (0.39) SLC6A4SLC6A2SCN9AHTR2AROCK2
SCHEMBL7877966 0.89 S1PR1 (0.36) ROCK2MEN1KMT2AFFAR1RHEB
SCHEMBL7880919 0.89 FFAR1 (0.36) SLC6A4SLC6A2SCN9AFFAR1RHEB
SCHEMBL7882020 0.88 SLC6A4 (0.45) SLC6A4SLC6A2HTR2ALPAR1LPAR5
Hydrochloric Acid SCHEMBL7881490 0.88 FFAR1 (0.36) SLC6A4SLC6A2SCN9AFFAR1RHEB
SCHEMBL7882372 0.88 FFAR1 (0.39) FFAR1RHEBBRAF
Hydrochloric Acid SCHEMBL7881831 0.87 SLC6A4 (0.45) SLC6A4SLC6A2HTR2ALPAR1LPAR5

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