SCHEMBL7873537

SCHEMBL7873537

CNC(N)=NC(=O)c1cc2cccc(Oc3ccc(CN)o3)c2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.34
MTNR1B P49286 1/20 0.34
HRH4 Q9H3N8 5/20 0.33
FLT3 P36888 1/20 0.33
IDO1 P14902 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
AR P10275 1/20 0.32
NSD2 O96028 1/20 0.31
SETD2 Q9BYW2 1/20 0.31
SMYD3 Q9H7B4 1/20 0.31
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL7880788 0.90 AR (0.35) MTNR1AMTNR1BHRH4FLT3IDO1
SCHEMBL7881317 0.88 AR (0.35) MTNR1AMTNR1BHRH4FLT3IDO1
SCHEMBL7873285 0.88 MAPT (0.39) MTNR1AMTNR1BHRH4FLT3IDO1
SCHEMBL7880167 0.84 MTNR1A (0.33) MTNR1AMTNR1BHRH4FLT3IDO1
SCHEMBL7873970 0.84 KDM4E (0.30)
SCHEMBL7881991 0.83 MTNR1A (0.35) MTNR1AMTNR1BHRH4FLT3IDO1
SCHEMBL7873969 0.83 CARM1 (0.38) MTNR1AMTNR1BHRH4FLT3IDO1
SCHEMBL7873249 0.82
SCHEMBL7882052 0.82 PLAU (0.38) MTNR1AMTNR1BHRH4FLT3IDO1
SCHEMBL7878084 0.81 BRD4 (0.39) MTNR1AMTNR1BHRH4FLT3NSD2

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