SCHEMBL6201583

SCHEMBL6201583

CCCCCCCCCCCCCCCCCCN1C(=O)CCc2ccccc21

nearest known ligand 0.75

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 11/20 0.75
DRD4 P21917 11/20 0.75
DRD3 P35462 11/20 0.75
CHRM2 P08172 10/20 0.75
CHRM4 P08173 10/20 0.75
CHRM5 P08912 10/20 0.75
CHRM1 P11229 10/20 0.75
CHRM3 P20309 10/20 0.75
ADRB2 P07550 2/20 0.64
ADRB1 P08588 2/20 0.64
ADRA1D P25100 2/20 0.64
ADRA1A P35348 2/20 0.64
ADRA1B P35368 2/20 0.64
GRIN1 Q05586 3/20 0.55
GRIN2B Q13224 3/20 0.55
POLB P06746 1/20 0.55

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
SCHEMBL29119406 1.00 DRD2 (0.75) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL3374155 0.98 DRD2 (0.77) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL6200847 0.94 DRD2 (0.84) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL12307233 0.89 HTR2A (0.64) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL12307218 0.89 HTR2A (0.64) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL12307238 0.89 HTR2A (0.64) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL30483504 0.87 DRD2 (0.69) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL17979351 0.87 DRD2 (0.69) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL10615952 0.87 HTR2A (0.66) DRD2DRD4DRD3CHRM2CHRM4
SCHEMBL23339326 0.86 HTR7 (0.63) DRD2DRD4DRD3CHRM2CHRM4

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