SCHEMBL7882170

SCHEMBL7882170

COCCn1c(C(=O)OC)cc2ccccc21

nearest known ligand 0.67

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 2/20 0.67
MTNR1B P49286 2/20 0.67
KMT2A Q03164 2/20 0.55
HDAC3 O15379 1/20 0.53
HDAC1 Q13547 1/20 0.53
KDM4E B2RXH2 1/20 0.52
CRHBP P24387 1/20 0.52
CRHR2 Q13324 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
CNR2 P34972 2/20 0.50
ALDH1A1 P00352 2/20 0.49
TSHR P16473 1/20 0.49
HTT P42858 1/20 0.49
CYP1A2 P05177 1/20 0.49
POLB P06746 1/20 0.49
NOD2 Q9HC29 1/20 0.48
NOD1 Q9Y239 1/20 0.48
MEN1 O00255 1/20 0.48
MCL1 Q07820 1/20 0.47

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
SCHEMBL8301465 0.87 MTNR1A (0.72) MTNR1AMTNR1BKMT2AKDM4ECRHBP
SCHEMBL29750342 0.87 ALDH1A1 (0.64) MTNR1AMTNR1BHDAC3HDAC1KDM4E
SCHEMBL7894118 0.87 ALDH1A1 (0.64) MTNR1AMTNR1BHDAC3HDAC1KDM4E
SCHEMBL20609049 0.86 HDAC3 (0.53) MTNR1AMTNR1BHDAC3HDAC1KDM4E
SCHEMBL30622530 0.86 HDAC3 (0.53) MTNR1AMTNR1BHDAC3HDAC1KDM4E
SCHEMBL1422759 0.84 MTNR1A (0.65) MTNR1AMTNR1BKMT2AKDM4ECRHBP
SCHEMBL29937398 0.84 MTNR1A (0.65) MTNR1AMTNR1BKMT2AKDM4ECRHBP
SCHEMBL29937110 0.84 MTNR1A (0.65) MTNR1AMTNR1BKMT2AKDM4ECRHBP
SCHEMBL11211402 0.83 ALDH1A1 (0.71) MTNR1AMTNR1BKMT2AKDM4ECRHBP
SCHEMBL7882288 0.83 MTNR1A (0.64) MTNR1AMTNR1BKMT2AKDM4ECRHBP

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