SCHEMBL7325960

SCHEMBL7325960

O=c1ccc2cc(OCC(O)CNCc3ccccc3Cl)ccc2[nH]1

nearest known ligand 0.50

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.50
KDM1A O60341 1/20 0.47
MEN1 O00255 6/20 0.46
KMT2A Q03164 6/20 0.46
MAPT P10636 2/20 0.46
MAPK1 P28482 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
ADRB1 P08588 1/20 0.42
ADRB3 P13945 1/20 0.42
DNM1 Q05193 1/20 0.40
GAA P10253 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.39
CYP2D6 P10635 2/20 0.38
DRD2 P14416 1/20 0.38

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
SCHEMBL7321692 0.88 KCNH2 (0.46) KCNH2KDM1AMEN1KMT2AMAPT
SCHEMBL7324173 0.86 TP53 (0.46) KCNH2KDM1AMEN1KMT2AMAPT
SCHEMBL7329857 0.84 KCNH2 (0.59) KCNH2MEN1KMT2AMAPTMAPK1
SCHEMBL6649656 0.83 MEN1 (0.57) KCNH2KDM1AMEN1KMT2AMAPT
Hydrochloric Acid SCHEMBL6653630 0.83 KCNH2 (0.58) KCNH2MEN1KMT2AMAPTMAPK1
Hydrochloric Acid SCHEMBL7377592 0.83 KCNH2 (0.58) KCNH2MEN1KMT2AMAPTMAPK1
Hydrochloric Acid SCHEMBL7326676 0.83 KCNH2 (0.58) KCNH2MEN1KMT2AMAPTMAPK1
SCHEMBL7329640 0.82 KCNH2 (0.43) KCNH2KDM1AMEN1KMT2AMAPT
SCHEMBL7330491 0.81 RAB9A (0.49) KCNH2KDM1AMEN1KMT2AMAPT
SCHEMBL7321388 0.80 KDM1A (0.49) KCNH2KDM1AMEN1KMT2ACYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5385914-A Cardiotonic carbostyril agents for treating heart ailments OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1995-01-31 US disclosed
EP-0355583-B1 Cardiotonics OTSUKA PHARMA CO LTD (JP) 1995-01-25 EP disclosed
US-5266577-A Method of treating congestive heart failure using carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY LTD. (JP) 1993-11-30 US disclosed
US-5198448-A Cardiovascular disorders OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1993-03-30 US disclosed
US-5053514-A Side effect reduction; carbostyril derivatives OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1991-10-01 US disclosed
EP-0355583-A2 Cardiotonics OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-02-28 EP disclosed