SCHEMBL7884307

SCHEMBL7884307

COC(=O)c1cc2cccc(OCCCNC(=O)OC(C)(C)C)c2n1C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 5/20 0.45
DYRK1A Q13627 1/20 0.43
SCN9A Q15858 1/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA9 Q16790 2/20 0.42
STING1 Q86WV6 1/20 0.41
NQO2 P16083 1/20 0.41
BRD4 O60885 1/20 0.40
PTPN1 P18031 3/20 0.39
PTPN22 Q9Y2R2 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ATM Q13315 1/20 0.39

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
SCHEMBL15478036 0.76 CA12 (0.52) DRD2SCN9ACA12CA1CA2
SCHEMBL30636443 0.76 CA12 (0.52) DRD2SCN9ACA12CA1CA2
SCHEMBL7882007 0.76 CNR1 (0.42) BRD4
SCHEMBL7877760 0.75 PIM1 (0.47) DYRK1ABRD4
SCHEMBL7877791 0.74 L3MBTL1 (0.42) BRD4TDP1
SCHEMBL4929242 0.74 MTNR1A (0.60) DRD2DYRK1A
SCHEMBL7884254 0.74 PIM1 (0.47) NQO2BRD4TDP1
SCHEMBL27480342 0.74 L3MBTL1 (0.44) BRD4
SCHEMBL7885081 0.74 STING1 (0.41) DRD2DYRK1ASCN9ACA12CA1
SCHEMBL3514820 0.74 MTNR1A (0.61) DRD2SCN9ACA12CA1CA2

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 5 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-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP disclosed