SCHEMBL7879892

SCHEMBL7879892

COC(=O)c1cc2ccccc2n1CCNC(=O)OC(C)(C)C

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 3/20 0.69
MTNR1B P49286 3/20 0.69
TP53 P04637 3/20 0.51
KDM4E B2RXH2 3/20 0.51
KMT2A Q03164 3/20 0.50
DRD2 P14416 1/20 0.48
TSHR P16473 1/20 0.46
CNR2 P34972 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.46
MAPT P10636 3/20 0.46
MEN1 O00255 2/20 0.46
HTT P42858 1/20 0.46
NPC1 O15118 1/20 0.46
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
HSP90AA1 P07900 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
PKM P14618 1/20 0.46

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
SCHEMBL4929242 0.93 MTNR1A (0.60) MTNR1AMTNR1BKMT2ADRD2CNR2
SCHEMBL20141699 0.90 MTNR1A (0.59) MTNR1AMTNR1BTP53KDM4EKMT2A
SCHEMBL16151418 0.83 MTNR1A (0.48) MTNR1AMTNR1B
SCHEMBL26107315 0.81 CNR2 (0.54) MTNR1AMTNR1BDRD2CNR2ALDH1A1
SCHEMBL28378267 0.81 TP53 (0.50) MTNR1AMTNR1BTP53KDM4EKMT2A
SCHEMBL27320350 0.79 MTNR1A (0.54) MTNR1AMTNR1BKDM4EKMT2ACNR2
SCHEMBL8301465 0.79 MTNR1A (0.72) MTNR1AMTNR1BKDM4EKMT2ACNR2
SCHEMBL16150685 0.78 MAPT (0.47) MTNR1AMTNR1BTP53KDM4EKMT2A
SCHEMBL7882170 0.77 MTNR1A (0.67) MTNR1AMTNR1BKDM4EKMT2ATSHR
SCHEMBL7960876 0.77 F10 (0.50) MTNR1AMTNR1BKDM4EKMT2ADRD2

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1067988-C Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 2001-07-04 CN disclosed
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
CN-1051301-C Indoloylguanidine derivatives SUMITOMO PHARMA (JP) 2000-04-12 CN disclosed
EP-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
CN-1136038-A Indoloylguanidine derivatives SUMITOMO PHARMACEUTICS K K (JP) 1996-11-20 CN disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
CN-1106800-A Indoloylguanidine derivatives SUMITOMO PHARMA (JP) 1995-08-16 CN disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP disclosed