SCHEMBL7289902

SCHEMBL7289902

Cc1cccc(NC2CCN(Cc3ccccc3)CC2)c1C=O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.58
GAA P10253 1/20 0.58
MAPK1 P28482 2/20 0.56
ALDH1A1 P00352 2/20 0.54
POLB P06746 1/20 0.53
ACHE P22303 4/20 0.52
BCHE P06276 2/20 0.52
ROCK2 O75116 2/20 0.52
ROCK1 Q13464 1/20 0.52
MEN1 O00255 1/20 0.50
KMT2A Q03164 1/20 0.50
BACE1 P56817 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 1/20 0.48
PKM P14618 1/20 0.48
RAB9A P51151 1/20 0.48
LMNA P02545 1/20 0.47
SIGMAR1 Q99720 2/20 0.47
MALT1 Q9UDY8 1/20 0.46

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
SCHEMBL7287538 0.86 KDM4E (0.73) KDM4EGAAMAPK1ACHEBCHE
SCHEMBL7289451 0.85 KDM4E (0.70) KDM4EGAAMAPK1ALDH1A1POLB
SCHEMBL7435270 0.81 KDM4E (0.65) KDM4EGAAMAPK1ALDH1A1ACHE
SCHEMBL7297024 0.80 KDM4E (0.60) KDM4EGAAMAPK1ALDH1A1POLB
SCHEMBL9785716 0.79 POLB (0.59) KDM4EGAAMAPK1ALDH1A1POLB
SCHEMBL5671677 0.74 KDM4E (0.70) KDM4EGAAMAPK1ACHEBCHE
SCHEMBL28332709 0.74 KDM4E (0.70) KDM4EGAAMAPK1ALDH1A1ACHE
Hydrochloric Acid SCHEMBL8409793 0.74 KDM4E (0.58) KDM4EGAAMAPK1ACHEBCHE
SCHEMBL8487979 0.74 ACHE (0.69) KDM4EGAAMAPK1ALDH1A1POLB
Hydrochloric Acid SCHEMBL11102409 0.73 KDM4E (0.68) KDM4EGAAMAPK1ACHEBCHE

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 5 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
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed