SCHEMBL7879445

SCHEMBL7879445

CNC(N)=NC(=O)c1cc2cccc(Oc3ccc(CN(C)C)s3)c2[nH]1

nearest known ligand 0.34

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.32
MTNR1B P49286 1/20 0.32
IDO1 P14902 1/20 0.32
HRH4 Q9H3N8 1/20 0.32
FLT3 P36888 1/20 0.32
SLC9A1 P19634 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 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
SCHEMBL7873443 0.91 MTNR1A (0.31) MTNR1AMTNR1BIDO1HRH4FLT3
SCHEMBL7880167 0.90 MTNR1A (0.33) MTNR1AMTNR1BIDO1HRH4FLT3
SCHEMBL7879982 0.88 FLT3 (0.33) MTNR1AMTNR1BIDO1HRH4FLT3
SCHEMBL7877473 0.85 HRH4 (0.34) MTNR1AMTNR1BIDO1HRH4FLT3
SCHEMBL7881976 0.85 HTR2A (0.32)
SCHEMBL7882250 0.84 HRH4 (0.35) HRH4
SCHEMBL7878072 0.83 SLC9A1 (0.33) SLC9A1
SCHEMBL7878089 0.83 SLC6A4 (0.41)
SCHEMBL7880788 0.83 AR (0.35) MTNR1AMTNR1BIDO1HRH4FLT3
SCHEMBL7880204 0.83 LSS (0.36) MTNR1AMTNR1BIDO1HRH4FLT3

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