SCHEMBL7326293

SCHEMBL7326293

O=c1ccc2cc(OCC(O)CNCCCc3ccccc3)ccc2[nH]1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 8/20 0.54
ADRB1 P08588 8/20 0.54
MEN1 O00255 2/20 0.53
MAPT P10636 2/20 0.53
MAPK1 P28482 2/20 0.53
KMT2A Q03164 2/20 0.53
SMN1; SMN2 Q16637 1/20 0.53
POLB P06746 1/20 0.51
GAA P10253 1/20 0.51
HTT P42858 1/20 0.51
ADRB3 P13945 3/20 0.47
KCNH2 Q12809 1/20 0.46
KDM1A O60341 1/20 0.45
ABCB1 P08183 4/20 0.45

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
SCHEMBL7370680 0.85 MEN1 (0.44) ADRB2ADRB1MEN1MAPTMAPK1
Hydrochloric Acid SCHEMBL7331358 0.85 ADRB1 (0.58) ADRB2ADRB1MEN1MAPTMAPK1
SCHEMBL7330491 0.83 RAB9A (0.49) ADRB2ADRB1MEN1MAPTMAPK1
SCHEMBL7332810 0.83 MEN1 (0.45) ADRB2ADRB1MEN1MAPTMAPK1
Hydrochloric Acid SCHEMBL7325518 0.82 ADRB3 (0.56) ADRB2ADRB1MEN1MAPTMAPK1
SCHEMBL7333244 0.82 MEN1 (0.44) ADRB2ADRB1MEN1MAPTMAPK1
SCHEMBL16550198 0.80 ADRB2 (0.64) ADRB2ADRB1MEN1MAPTMAPK1
SCHEMBL7329175 0.79 KCNH2 (0.45) ADRB2ADRB1MEN1MAPTMAPK1
SCHEMBL6649656 0.79 MEN1 (0.57) ADRB2ADRB1MEN1MAPTMAPK1
SCHEMBL7375804 0.78 KDM4E (0.47) ADRB2ADRB1MEN1KMT2AADRB3

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