SCHEMBL7877781

SCHEMBL7877781

CN(C)Cc1ccc(COc2ccc(Cl)c3cc(C(=O)N(C)C(=N)N)[nH]c23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RHEB Q15382 1/20 0.41
SLC6A4 P31645 2/20 0.37
HTR2A P28223 1/20 0.37
CCR5 P51681 1/20 0.36
TNKS O95271 1/20 0.36
MAP2 P11137 1/20 0.36
KMT2A Q03164 3/20 0.36
HPGD P15428 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
HDAC8 Q9BY41 2/20 0.34
HDAC1 Q13547 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
MEN1 O00255 2/20 0.34
MRGPRX4 Q96LA9 1/20 0.33
HSP90AA1 P07900 1/20 0.33
PTGER1 P34995 1/20 0.33
ALDH1A1 P00352 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33

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
Hydrochloric Acid SCHEMBL7881045 0.99 RHEB (0.41) RHEBSLC6A4HTR2ACCR5TNKS
SCHEMBL7884412 0.92 MGMT (0.38) RHEBTNKSHPGDSMN1; SMN2MRGPRX4
SCHEMBL7880877 0.92 RHEB (0.40) RHEBCCR5KMT2AHPGDSMN1; SMN2
SCHEMBL7880027 0.91 RHEB (0.42) RHEBKMT2AHPGDSMN1; SMN2HDAC8
Hydrochloric Acid SCHEMBL7877841 0.90 RHEB (0.41) RHEBKMT2AHPGDSMN1; SMN2HDAC8
Hydrochloric Acid SCHEMBL7877431 0.89 RHEB (0.42) RHEBHPGDSMN1; SMN2HDAC8HDAC1
SCHEMBL7882020 0.88 SLC6A4 (0.45) RHEBSLC6A4HTR2ATNKSMAP2
SCHEMBL7877966 0.88 S1PR1 (0.36) RHEBMAP2KMT2AMEN1MRGPRX4
Hydrochloric Acid SCHEMBL7881831 0.87 SLC6A4 (0.45) RHEBSLC6A4HTR2ATNKSMAP2
SCHEMBL7878281 0.87 HRH3 (0.38) RHEBSLC6A4HTR2AKMT2ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 claimed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP claimed
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