SCHEMBL7882020

SCHEMBL7882020

CN(C)Cc1ccc(Oc2ccc(Cl)c3cc(C(=O)N(C)C(=N)N)[nH]c23)cc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 8/20 0.45
HTR2A P28223 4/20 0.45
TNKS O95271 1/20 0.36
MAP2 P11137 1/20 0.36
KCNH2 Q12809 2/20 0.35
SLC6A2 P23975 5/20 0.35
FFAR1 O14842 1/20 0.34
HSP90AA1 P07900 2/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
SLC6A3 Q01959 2/20 0.33
PARP1 P09874 1/20 0.33
PARP2 Q9UGN5 1/20 0.33
RHEB Q15382 1/20 0.33
ACACB O00763 1/20 0.32
SOS1 Q07889 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 SCHEMBL7881831 0.99 SLC6A4 (0.45) SLC6A4HTR2ATNKSMAP2KCNH2
SCHEMBL7877753 0.92 HTR2A (0.39) SLC6A4HTR2AFFAR1LPAR1LPAR5
SCHEMBL7880166 0.91 HTR2A (0.39) SLC6A4HTR2AKCNH2FFAR1LPAR1
Hydrochloric Acid SCHEMBL7873468 0.90 HTR2A (0.39) SLC6A4HTR2AKCNH2FFAR1RHEB
SCHEMBL7882381 0.90 SLC6A4 (0.40) SLC6A4HTR2ATNKSMAP2KCNH2
SCHEMBL7873728 0.90 SLC6A4 (0.41) SLC6A4HTR2ATNKSKCNH2SLC6A2
SCHEMBL7877781 0.88 RHEB (0.41) SLC6A4HTR2ATNKSMAP2SLC6A2
SCHEMBL7873263 0.88 HTR2A (0.37) SLC6A4HTR2AFFAR1RHEB
SCHEMBL7878053 0.88 SLC6A4 (0.40) SLC6A4HTR2ASLC6A2FFAR1LPAR1
Hydrochloric Acid SCHEMBL7881045 0.87 RHEB (0.41) SLC6A4HTR2ATNKSMAP2SLC6A2

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