SCHEMBL6201305

SCHEMBL6201305

COc1cc[c]cc1N1CCN(C(C)=O)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.45
ALDH1A1 P00352 4/20 0.44
TSHR P16473 3/20 0.44
MEN1 O00255 2/20 0.43
POLB P06746 2/20 0.43
KMT2A Q03164 2/20 0.43
PKM P14618 1/20 0.43
HPGDS O60760 1/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 1/20 0.43
ACHE P22303 1/20 0.42
BACE1 P56817 1/20 0.42
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL285241 0.80 DRD2 (0.60) ALDH1A1TSHRMEN1KMT2A
SCHEMBL2479623 0.80 ALDH1A1 (0.44) ALDH1A1TSHRKMT2ALMNAMAPT
SCHEMBL27722042 0.79 ALDH1A1 (0.47) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL7793932 0.79 AKR1C3 (0.68) AKR1C3ALDH1A1TSHRMEN1POLB
SCHEMBL188256 0.78 ALDH1A1 (0.55) AKR1C3ALDH1A1TSHRMEN1POLB
SCHEMBL25220513 0.77 ALDH1A1 (0.47) ALDH1A1TSHRMEN1KMT2ALMNA
SCHEMBL6199705 0.77 DRD2 (0.49) ALDH1A1KMT2ALMNAMAPTSMN1; SMN2
SCHEMBL3613772 0.76 AKR1C3 (0.46) AKR1C3ALDH1A1MEN1KMT2AMAPT
SCHEMBL6199815 0.76 HTR3A (0.61) LMNAMAPT
SCHEMBL19049376 0.74 TP53 (0.52) AKR1C3ALDH1A1TSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1130017-B1 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMA CO LTD (JP) 2005-06-15 EP disclosed
EP-0934937-B1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMA CO LTD (JP) 2002-02-27 EP disclosed
US-RE37556-E1 (ALKOXYPHENYL)THIAZOLE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2002-02-19 US disclosed
EP-1130017-A2 Azole derivatives and their use as superoxide radical inhibitors OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2001-09-05 EP disclosed
US-6080764-A PROTECTING VARIOUS TISSUE CELLS FROM DISTURBANCES ASSOCIATED WITH ISCHEMIA AND BLOOD REPERFUSION IN HEART, BRAIN, KIDNEY, LUNG AND DIGESTIVE TRACT BY INHIBITING SUPEROXIDE-RELEASE BY NEUTROPHILIC LEUKOCYTES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2000-06-27 US disclosed
EP-0934937-A1 Azole derivatives as superoxide radical inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1999-08-11 EP disclosed
US-5677319-A THIAZOLE DERIVATIVE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-10-14 US disclosed
US-5643932-A PREVENTS CELL DAMAGE AFTER ISCHEMIA AND RE-PERFUSION, SUBSTITUTED THIAZOLES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1997-07-01 US disclosed
EP-0513387-A1 ACTIVE OXYGEN INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1992-11-19 EP disclosed