SCHEMBL7435270

SCHEMBL7435270

O=Cc1ccccc1NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.65
GAA P10253 1/20 0.65
MAPK1 P28482 3/20 0.62
ROCK2 O75116 2/20 0.54
ROCK1 Q13464 1/20 0.54
ACHE P22303 4/20 0.54
BCHE P06276 2/20 0.54
BACE1 P56817 1/20 0.54
MAPT P10636 1/20 0.53
PKM P14618 1/20 0.53
RAB9A P51151 1/20 0.53
SIGMAR1 Q99720 3/20 0.52
MALT1 Q9UDY8 1/20 0.51
DRD4 P21917 4/20 0.51
DRD2 P14416 3/20 0.51
DRD3 P35462 2/20 0.50
NPSR1 Q6W5P4 1/20 0.49
KMT2A Q03164 1/20 0.49
HTR2A P28223 1/20 0.49
HTR2C P28335 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
SCHEMBL7289902 0.81 KDM4E (0.58) KDM4EGAAMAPK1ROCK2ROCK1
SCHEMBL7287538 0.81 KDM4E (0.73) KDM4EGAAMAPK1ROCK2ROCK1
SCHEMBL28332709 0.79 KDM4E (0.70) KDM4EGAAMAPK1ROCK2ROCK1
SCHEMBL7289451 0.79 KDM4E (0.70) KDM4EGAAMAPK1ROCK2ROCK1
SCHEMBL5671677 0.79 KDM4E (0.70) KDM4EGAAMAPK1ROCK2ROCK1
Hydrochloric Acid SCHEMBL8409793 0.79 KDM4E (0.58) KDM4EGAAMAPK1ROCK2ROCK1
SCHEMBL7840653 0.78 GAA (0.68) KDM4EGAAMAPK1ROCK2ROCK1
Hydrochloric Acid SCHEMBL11102409 0.78 KDM4E (0.68) KDM4EGAAMAPK1ROCK2ROCK1
SCHEMBL14015226 0.78 KDM4E (0.54) KDM4EGAAMAPK1ACHEBCHE
SCHEMBL30007165 0.77 KDM4E (0.64) KDM4EGAAMAPK1ROCK2ROCK1

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 4 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-0382185-B1 Carbostyril derivatives OTSUKA PHARMA CO LTD (JP) 1994-06-15 EP disclosed
US-5225402-A Vasopressin antagonist, vasodilation, hypotensive, diuretics and anticoagulants OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1993-07-06 US disclosed