SCHEMBL7288248

SCHEMBL7288248

Cc1ccc(NC2CCN(Cc3ccccc3)CC2)cc1

nearest known ligand 0.68

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ACHE P22303 9/20 0.68
BACE1 P56817 6/20 0.68
POLB P06746 2/20 0.67
ALDH1A1 P00352 2/20 0.67
LMNA P02545 1/20 0.66
BCHE P06276 3/20 0.61
SMN1; SMN2 Q16637 1/20 0.61
ROCK2 O75116 2/20 0.59
CCR2 P41597 1/20 0.59
ROCK1 Q13464 1/20 0.59
KDM4E B2RXH2 1/20 0.58
GAA P10253 1/20 0.58
LTA4H P09960 1/20 0.56
MAPK1 P28482 1/20 0.56
ITK Q08881 1/20 0.55
FAAH O00519 1/20 0.54

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
SCHEMBL918426 0.89 KDM4E (0.66) ACHEBACE1ALDH1A1BCHEROCK2
SCHEMBL7296842 0.87 ACHE (0.60) ACHEBACE1POLBALDH1A1LMNA
SCHEMBL924357 0.87 ACHE (0.68) ACHEBACE1POLBALDH1A1LMNA
SCHEMBL15919764 0.85 SIGMAR1 (0.62) ACHEBACE1ALDH1A1BCHEROCK2
SCHEMBL3997031 0.85 ACHE (0.68) ACHEBACE1ALDH1A1BCHEROCK2
SCHEMBL28331173 0.85 KMT2A (0.67) ACHEBACE1ALDH1A1LMNABCHE
SCHEMBL23805141 0.85 KMT2A (0.66) POLBALDH1A1LMNABCHEROCK2
SCHEMBL7296818 0.85 DCUN1D1 (0.69) ACHEBACE1POLBALDH1A1LMNA
SCHEMBL15920025 0.85 ROCK2 (0.56) ACHEBACE1POLBALDH1A1LMNA
SCHEMBL7289534 0.85 KMT2A (0.70) ACHEBACE1ALDH1A1SMN1; SMN2ROCK2

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1036394-C Process for preparing quinolone derivatives OTSUKA PHARMA CO LTD (JP) 1997-11-12 CN disclosed
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