SCHEMBL7882108

SCHEMBL7882108

CCN(CC)Cc1ccccc1Oc1ccc(Cl)c2cc(C(=O)N=C(N)NC)[nH]c12

nearest known ligand 0.34

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 5/20 0.34
SLC6A4 P31645 5/20 0.34
SLC6A3 Q01959 5/20 0.34
LMNA P02545 1/20 0.34
TSHR P16473 1/20 0.34
CHRM1 P11229 1/20 0.34
SLC1A5 Q15758 2/20 0.33
SCN9A Q15858 2/20 0.33
ESRRA P11474 3/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP3A5 P20815 1/20 0.32
CYP2C19 P33261 1/20 0.32
HTR2A P28223 1/20 0.32
KCNH2 Q12809 1/20 0.32
CXCL8 P10145 1/20 0.32
APP P05067 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
SCHEMBL7877943 0.91 SLC6A4 (0.44) SLC6A2SLC6A4SLC6A3CHRM1HTR2A
SCHEMBL7881178 0.89 LTB4R (0.36) LMNATSHRSLC1A5
SCHEMBL7879460 0.88 CYP3A4 (0.37) SLC6A2SLC6A4SLC6A3CHRM1ESRRA
SCHEMBL7882059 0.88 SCN9A (0.36) LMNASLC1A5SCN9AAPP
SCHEMBL7877759 0.85 SLC6A4 (0.36) SLC6A2SLC6A4SCN9AESRRAHTR2A
SCHEMBL7877615 0.84 PPARG (0.34) SLC6A4LMNATSHRSCN9AHTR2A
SCHEMBL7877574 0.83 RHEB (0.37) SLC6A2SLC6A4SLC6A3SLC1A5SCN9A
SCHEMBL7882402 0.83 LMNA (0.30) LMNATSHR
SCHEMBL7884580 0.83 ESRRA (0.36) LMNATSHRESRRACYP3A4CYP2C19
SCHEMBL7873980 0.83 KMT2A (0.39) TSHRSCN9ACYP2D6KCNH2

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