SCHEMBL7877848

SCHEMBL7877848

Cc1cc(OCCCN)cc2[nH]c(C(=O)N(C)C(=N)N)cc12

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 6/20 0.37
KDM4E B2RXH2 2/20 0.34
BCL2 P10415 3/20 0.34
PPARA Q07869 1/20 0.32
THRA P10827 1/20 0.32
THRB P10828 1/20 0.32
DRD2 P14416 1/20 0.31
DRD3 P35462 1/20 0.31
ITGB3 P05106 1/20 0.31
ITGA2B P08514 1/20 0.31
PDGFRB P09619 2/20 0.31
PDGFRA P16234 1/20 0.31
FLT3 P36888 2/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30
GLA P06280 1/20 0.30
GAA P10253 1/20 0.30
POLB P06746 1/20 0.30

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 SCHEMBL7877311 0.99 MCL1 (0.37) MCL1KDM4EBCL2PPARATHRA
Hydrochloric Acid SCHEMBL8634807 0.99 MCL1 (0.37) MCL1KDM4EBCL2PPARATHRA
SCHEMBL7882296 0.94 MCL1 (0.36) MCL1KDM4EBCL2PPARATHRA
SCHEMBL7881137 0.90 PDGFRB (0.41) MCL1KDM4EBCL2THRATHRB
Hydrochloric Acid SCHEMBL7884343 0.89 PDGFRB (0.40) MCL1KDM4EBCL2THRATHRB
Hydrochloric Acid SCHEMBL8631082 0.89 PDGFRB (0.40) MCL1KDM4EBCL2THRATHRB
SCHEMBL7873700 0.88 MAOB (0.36) MCL1KDM4EPPARATHRATHRB
Hydrochloric Acid SCHEMBL8626868 0.87 MCL1 (0.34) MCL1BCL2THRBDRD2DRD3
Hydrochloric Acid SCHEMBL7880199 0.87 MCL1 (0.34) MCL1BCL2THRBDRD2DRD3
SCHEMBL7873358 0.87 HDAC3 (0.40) KDM4EDRD2DRD3FLT3NPC1

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-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-0622356-B1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMA (JP) 1998-07-01 EP disclosed
EP-0708091-A2 Indoloylguanidine derivatives SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1996-04-24 EP disclosed
EP-0622356-A1 Indoloylguanidine derivatives as inhibitors of sodium-hydrogen exchange SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1994-11-02 EP disclosed