SCHEMBL7879668

SCHEMBL7879668

CN(C(=N)N)C(=O)c1cc2c(Cl)cc(Oc3ccc(CN4CCCC4)cc3)cc2[nH]1

nearest known ligand 0.39

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 12/20 0.39
KDM4E B2RXH2 1/20 0.36
MAPT P10636 1/20 0.36
RHEB Q15382 1/20 0.36
GAA P10253 1/20 0.35
DRD2 P14416 1/20 0.35
DRD3 P35462 1/20 0.35
KDR P35968 1/20 0.35
PARP1 P09874 1/20 0.35

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
SCHEMBL7877811 0.99 HRH3 (0.41) HRH3KDM4EMAPTGAAKDR
SCHEMBL7884245 0.91 FAAH (0.40) KDM4EGAAPARP1
SCHEMBL7881368 0.91 KDM4E (0.39) KDM4EGAAPARP1
SCHEMBL7877879 0.89 DYRK1A (0.36) HRH3DRD2DRD3PARP1
SCHEMBL7881038 0.88 SCN9A (0.40) HRH3KDM4EMAPTRHEBKDR
SCHEMBL7880055 0.88 CHEK1 (0.34) HRH3DRD2DRD3PARP1
SCHEMBL7882167 0.87 SCN9A (0.39) HRH3KDM4EMAPTRHEBKDR
SCHEMBL7879405 0.87 ST14 (0.41) RHEBDRD2DRD3
SCHEMBL7881919 0.87 KDR (0.34) HRH3RHEBDRD2DRD3KDR
SCHEMBL7880873 0.86 RXFP1 (0.43) HRH3KDM4EMAPTDRD2DRD3

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