SCHEMBL7352120

SCHEMBL7352120

OC(CN1CC[N]CC1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.65
KMT2A Q03164 5/20 0.63
MEN1 O00255 4/20 0.63
KDM4E B2RXH2 4/20 0.63
OPRM1 P35372 1/20 0.63
OPRD1 P41143 1/20 0.63
IGF1R P08069 3/20 0.54
ALDH1A1 P00352 1/20 0.50
HTT P42858 1/20 0.50
PKM P14618 1/20 0.49
SLC18A3 Q16572 1/20 0.49

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
SCHEMBL2796836 0.87 GAA (0.82) GAAKMT2AMEN1KDM4EOPRM1
SCHEMBL10746494 0.87 GAA (0.82) GAAKMT2AMEN1KDM4EOPRM1
SCHEMBL11072473 0.83 GAA (0.43) GAAKMT2AMEN1KDM4EOPRM1
SCHEMBL6979453 0.83 GAA (0.71) GAAKMT2AMEN1KDM4EOPRM1
SCHEMBL1205842 0.83 GAA (0.71) GAAKMT2AMEN1KDM4EOPRM1
SCHEMBL3082979 0.83 GAA (0.71) GAAKMT2AMEN1KDM4EOPRM1
Hydrochloric Acid SCHEMBL3089754 0.81 GAA (0.69) GAAKMT2AMEN1KDM4EOPRM1
SCHEMBL12573567 0.81 GAA (0.69) GAAKMT2AMEN1KDM4EOPRM1
SCHEMBL8223804 0.81 GAA (0.69) GAAKMT2AMEN1KDM4EOPRM1
SCHEMBL1460306 0.81 GAA (0.69) GAAKMT2AMEN1KDM4EOPRM1

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