SCHEMBL7349904

SCHEMBL7349904

NCCCCCCOCCCCCCO

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.50
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
HTT P42858 2/20 0.44
THRB P10828 1/20 0.44
MAPT P10636 1/20 0.44
TSHR P16473 4/20 0.42
CA12 O43570 2/20 0.42
CA1 P00915 2/20 0.42
CA2 P00918 2/20 0.42
CA3 P07451 2/20 0.42
CA4 P22748 2/20 0.42
CA6 P23280 2/20 0.42
CA5A P35218 2/20 0.42
CA7 P43166 2/20 0.42
CA9 Q16790 2/20 0.42
CA14 Q9ULX7 2/20 0.42
CA5B Q9Y2D0 2/20 0.42
LMNA P02545 2/20 0.42
DNM1 Q05193 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
SCHEMBL25028495 1.00 GAA (0.50) GAAMEN1KMT2AHTTTHRB
SCHEMBL7287395 1.00 GAA (0.50) GAAMEN1KMT2AHTTTHRB
SCHEMBL7287703 0.97 GAA (0.47) GAAMEN1KMT2AHTTTHRB
SCHEMBL196977 0.95 GAA (0.50) GAAMEN1KMT2AHTTTHRB
SCHEMBL14141553 0.95 GAA (0.45) GAAMEN1KMT2AHTTTHRB
SCHEMBL23191483 0.92 MEN1 (0.48) GAAMEN1KMT2AHTTTHRB
SCHEMBL12738224 0.92 GAA (0.47) GAAMEN1KMT2AHTTTHRB
SCHEMBL817143 0.92 GAA (0.47) GAAMEN1KMT2AHTTTHRB
SCHEMBL4265811 0.92 GAA (0.47) GAAMEN1KMT2AHTTTHRB
SCHEMBL15070134 0.90 MEN1 (0.56) GAAMEN1KMT2AHTTTHRB

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-5652247-A VASOPRESSIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD (JP) 1997-07-29 US disclosed
US-5436254-A Vaopressin antagonists OTSUKA PHARMACEUTICAL COMPANY, LTD. (JP) 1995-07-25 US disclosed
EP-0602209-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1994-06-22 EP disclosed
EP-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
WO-1994001113-A1 OXYTOCIN ANTAGONIST OTSUKA PHARMACEUTICAL COMPANY, LIMITED (JP) 1994-01-20 WO disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed