SCHEMBL7880840

SCHEMBL7880840

CCN(CC)Cc1cncc(Oc2cccc3cc(C(=O)N=C(N)NC)[nH]c23)c1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.39
SIRT2 Q8IXJ6 6/20 0.37
SIRT1 Q96EB6 6/20 0.37
SIRT3 Q9NTG7 6/20 0.37
SCN9A Q15858 3/20 0.35
DYRK1A Q13627 3/20 0.33
WNT1 P04628 1/20 0.33
HTR2C P28335 1/20 0.31
MCHR1 Q99705 1/20 0.31
TP53 P04637 3/20 0.31
MAPT P10636 3/20 0.31
SUCNR1 Q9BXA5 1/20 0.31
LMNA P02545 1/20 0.31
THRB P10828 1/20 0.31
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31

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
SCHEMBL7879711 0.92 IDO1 (0.40) IDO1SIRT2SIRT1SIRT3SCN9A
SCHEMBL7881417 0.86 DYRK1A (0.33) SCN9ADYRK1AWNT1
SCHEMBL7879500 0.85 SCN9A (0.34) SCN9ADYRK1AWNT1SUCNR1
SCHEMBL7877543 0.84 SIRT2 (0.41) IDO1SIRT2SIRT1SIRT3
SCHEMBL7881874 0.84 DYRK1A (0.36) IDO1SIRT2SIRT1SIRT3DYRK1A
SCHEMBL7882013 0.84 SLC6A4 (0.40) IDO1SIRT2SIRT1SIRT3DYRK1A
SCHEMBL7880172 0.83 TP53 (0.35) IDO1SCN9ATP53MAPTLMNA
SCHEMBL7881928 0.83 IDO1 (0.35) IDO1SCN9ADYRK1ATP53MAPT
SCHEMBL7873853 0.82 HRH3 (0.39) IDO1TP53MAPT
SCHEMBL7880204 0.82 LSS (0.36) IDO1SCN9ATHRBDRD2DRD3

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