SCHEMBL7330491

SCHEMBL7330491

O=c1ccc2cc(OCC(O)CNCC(c3ccccc3)c3ccccc3)ccc2[nH]1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.49
KCNH2 Q12809 1/20 0.48
KDM1A O60341 1/20 0.48
MEN1 O00255 3/20 0.46
KMT2A Q03164 3/20 0.46
OPRM1 P35372 1/20 0.46
OPRD1 P41143 1/20 0.46
ABCB1 P08183 7/20 0.44
MAPT P10636 2/20 0.44
MAPK1 P28482 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ADRB2 P07550 3/20 0.42
ADRB1 P08588 3/20 0.42
ADRB3 P13945 3/20 0.42
GAA P10253 1/20 0.42
HTT P42858 1/20 0.42

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 SCHEMBL7331358 0.84 ADRB1 (0.58) KCNH2KDM1AMEN1KMT2AOPRM1
SCHEMBL7326293 0.83 ADRB2 (0.54) KCNH2KDM1AMEN1KMT2AABCB1
SCHEMBL7332810 0.83 MEN1 (0.45) RAB9AKCNH2KDM1AMEN1KMT2A
SCHEMBL7323871 0.82 KCNH2 (0.53) RAB9AKCNH2KDM1AMEN1KMT2A
SCHEMBL7321692 0.81 KCNH2 (0.46) RAB9AKCNH2KDM1AMEN1KMT2A
SCHEMBL7325960 0.81 KCNH2 (0.50) RAB9AKCNH2KDM1AMEN1KMT2A
SCHEMBL7333244 0.81 MEN1 (0.44) RAB9AKCNH2KDM1AMEN1KMT2A
SCHEMBL7370680 0.81 MEN1 (0.44) RAB9AKCNH2KDM1AMEN1KMT2A
SCHEMBL7324173 0.80 TP53 (0.46) KCNH2KDM1AMEN1KMT2AMAPT
SCHEMBL16550198 0.79 ADRB2 (0.64) KCNH2MEN1KMT2AOPRM1ABCB1

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