SCHEMBL7289451

SCHEMBL7289451

Cc1ccccc1NC1CCN(Cc2ccccc2)CC1

nearest known ligand 0.70

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.70
GAA P10253 1/20 0.70
ALDH1A1 P00352 1/20 0.67
MAPK1 P28482 2/20 0.62
POLB P06746 1/20 0.59
SMN1; SMN2 Q16637 3/20 0.58
RECQL P46063 1/20 0.58
ACHE P22303 5/20 0.57
BACE1 P56817 3/20 0.57
BCHE P06276 2/20 0.57
ROCK2 O75116 2/20 0.57
ROCK1 Q13464 1/20 0.57
MAPT P10636 2/20 0.53
RAB9A P51151 2/20 0.53
PKM P14618 1/20 0.53
LMNA P02545 1/20 0.53
RXFP1 Q9HBX9 1/20 0.53
NOD2 Q9HC29 1/20 0.53
SIGMAR1 Q99720 1/20 0.52

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
SCHEMBL7297024 0.86 KDM4E (0.60) KDM4EGAAALDH1A1MAPK1POLB
SCHEMBL9785716 0.85 POLB (0.59) KDM4EGAAALDH1A1MAPK1POLB
SCHEMBL7289902 0.85 KDM4E (0.58) KDM4EGAAALDH1A1MAPK1POLB
SCHEMBL28332709 0.82 KDM4E (0.70) KDM4EGAAALDH1A1MAPK1ACHE
SCHEMBL5671677 0.82 KDM4E (0.70) KDM4EGAAMAPK1ACHEBACE1
SCHEMBL8487979 0.82 ACHE (0.69) KDM4EGAAALDH1A1MAPK1POLB
Hydrochloric Acid SCHEMBL11102409 0.81 KDM4E (0.68) KDM4EGAAMAPK1ACHEBACE1
SCHEMBL7840653 0.81 GAA (0.68) KDM4EGAAALDH1A1MAPK1ACHE
SCHEMBL6154032 0.81 SLC6A12 (0.56) KDM4EGAAMAPK1POLBSMN1; SMN2
SCHEMBL7402993 0.80 KDM4E (0.67) KDM4EGAAALDH1A1MAPK1POLB

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 7 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
US-5356904-A Administering to prevent preterm labor in mammals MERCK & CO., INC. (US) 1994-10-18 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
CN-1046529-A Carbostyril derivative OTSUKA PHARMA CO LTD (JP) 1990-10-31 CN disclosed
EP-0382185-A2 Carbostyril derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1990-08-16 EP disclosed