SCHEMBL6199705

SCHEMBL6199705

CCN1CCN(c2c[c]ccc2OC)CC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.49
DRD3 P35462 3/20 0.47
HTR1A P08908 1/20 0.46
ADRA1D P25100 1/20 0.43
ADRA1A P35348 1/20 0.43
ADRA1B P35368 1/20 0.43
KDM4E B2RXH2 5/20 0.42
MAPK1 P28482 2/20 0.42
LMNA P02545 2/20 0.42
HTT P42858 2/20 0.42
TDP1 Q9NUW8 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.41
HTR7 P34969 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
DRD4 P21917 1/20 0.41
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41
MAPT P10636 1/20 0.40
ALOX15 P16050 1/20 0.40

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
SCHEMBL2481239 0.88 DRD2 (0.49) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL285241 0.83 DRD2 (0.60) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL2479623 0.82 ALDH1A1 (0.44) DRD2DRD3LMNASMN1; SMN2ALDH1A1
SCHEMBL6199815 0.78 HTR3A (0.61) DRD2DRD3HTR1ALMNAHTR7
SCHEMBL6200811 0.78 CHRNA7 (0.42) DRD2DRD3KDM4ELMNASMN1; SMN2
SCHEMBL3613772 0.78 AKR1C3 (0.46) DRD2DRD3KDM4EMAPK1TDP1
SCHEMBL4617829 0.78 DRD2 (0.77) DRD2DRD3HTR1AADRA1DADRA1A
SCHEMBL6201305 0.77 AKR1C3 (0.45) LMNASMN1; SMN2ALDH1A1KMT2AMAPT
SCHEMBL27769716 0.76 CYP2D6 (0.45) DRD2DRD3KDM4ELMNASMN1; SMN2
SCHEMBL16462683 0.76 GAA (0.53) DRD2DRD3KDM4ELMNAHTT

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