SCHEMBL7330216

SCHEMBL7330216

[CH2]CCCc1ncccc1OCC

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 4/20 0.42
ALDH1A1 P00352 2/20 0.38
LMNA P02545 3/20 0.38
KDM4E B2RXH2 1/20 0.38
MAPT P10636 1/20 0.38
PDE5A O76074 1/20 0.38
L3MBTL1 Q9Y468 2/20 0.37
KMT2A Q03164 4/20 0.36
HTT P42858 3/20 0.36
MEN1 O00255 2/20 0.36
ALOX12 P18054 1/20 0.35
CACNA2D1 P54289 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
MAPK1 P28482 1/20 0.35
HSD17B10 Q99714 1/20 0.35
SYK P43405 1/20 0.35
GABRA1 P14867 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34

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
SCHEMBL23717535 0.82 GRM5 (0.46) GRM5ALDH1A1LMNAKDM4EMAPT
SCHEMBL11233284 0.82 HRH1 (0.44) GRM5ALDH1A1LMNAKDM4EMAPT
SCHEMBL23251404 0.78 GRM5 (0.49) GRM5ALDH1A1LMNAKDM4EMAPT
SCHEMBL11218097 0.77 GRM5 (0.42) GRM5ALDH1A1LMNAKDM4EMAPT
SCHEMBL17778295 0.75 ALDH1A1 (0.47) GRM5ALDH1A1LMNAMAPTPDE5A
SCHEMBL23293039 0.75 NOS3 (0.41) ALDH1A1KDM4EMAPTL3MBTL1
SCHEMBL2645036 0.75 ALDH1A1 (0.52) GRM5ALDH1A1LMNAPDE5AL3MBTL1
SCHEMBL30554705 0.75 ALDH1A1 (0.47) GRM5ALDH1A1LMNAMAPTPDE5A
SCHEMBL73902 0.75 GRM5 (0.43) GRM5LMNAKDM4EMAPTPDE5A
SCHEMBL8554211 0.74 PDE10A (0.42) GRM5ALDH1A1LMNAPDE5AL3MBTL1

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