SCHEMBL7877541

SCHEMBL7877541

CN(C)Cc1ccc(Oc2cc(Cl)c3cc(C(=O)N(C)C(=N)N)[nH]c3c2)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.39
SLC6A4 P31645 1/20 0.39
RHEB Q15382 2/20 0.39
MAP2 P11137 1/20 0.38
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
RXFP1 Q9HBX9 2/20 0.37
TNKS O95271 1/20 0.34
HSP90AA1 P07900 1/20 0.34
FLT3 P36888 1/20 0.33
PARP1 P09874 2/20 0.33
PARP2 Q9UGN5 1/20 0.33
PPARG P37231 1/20 0.33
PPARD Q03181 1/20 0.33
PPARA Q07869 1/20 0.33
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
GRIN1 Q05586 1/20 0.32
MMP3 P08254 1/20 0.32
MMP10 P09238 1/20 0.32

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 SCHEMBL7881325 0.99 HTR2A (0.38) HTR2ASLC6A4RHEBMAP2MEN1
SCHEMBL7884253 0.92 RHEB (0.37) HTR2ASLC6A4RHEBMAP2MEN1
SCHEMBL7879405 0.91 ST14 (0.41) HTR2ASLC6A4RHEBMEN1KMT2A
Hydrochloric Acid SCHEMBL7881143 0.90 ST14 (0.40) HTR2ASLC6A4RHEBMEN1KMT2A
SCHEMBL7881478 0.90 PPARG (0.40) HTR2ASLC6A4RHEBMEN1KMT2A
SCHEMBL7873532 0.89 MAP2 (0.38) HTR2ASLC6A4RHEBMAP2MEN1
SCHEMBL7881243 0.89 HTR2A (0.33) HTR2ASLC6A4RHEBMAP2MEN1
Hydrochloric Acid SCHEMBL7873286 0.89 MAP2 (0.37) HTR2ASLC6A4MAP2MEN1KMT2A
SCHEMBL7884372 0.88 RHEB (0.39) RHEBMEN1KMT2ARXFP1FLT3
Hydrochloric Acid SCHEMBL7884300 0.87 RHEB (0.38) RHEBMEN1KMT2AFLT3THRA

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