SCHEMBL6202838

SCHEMBL6202838

[CH2]CCCCN1CCN(CCCCCC)CC1

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GNAO1 P09471 7/20 0.61
GNAI3 P08754 6/20 0.61
GNAI1 P63096 6/20 0.61
KDM4E B2RXH2 2/20 0.47
GAA P10253 1/20 0.47
LMNA P02545 1/20 0.46
GUSB P08236 2/20 0.44
EBP Q15125 1/20 0.44
SIGMAR1 Q99720 1/20 0.44
S1PR1 P21453 1/20 0.43
S1PR3 Q99500 1/20 0.43
S1PR5 Q9H228 1/20 0.43

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
SCHEMBL6198106 0.93 GNAI3 (0.57) GNAO1GNAI3GNAI1KDM4EGAA
SCHEMBL294881 0.93 GNAI3 (0.52) GNAO1GNAI3GNAI1KDM4EGAA
SCHEMBL294577 0.88 GNAI3 (0.57) GNAO1GNAI3GNAI1KDM4EGAA
SCHEMBL18631337 0.88 GNAI3 (0.74) GNAO1GNAI3GNAI1KDM4EGAA
SCHEMBL18630997 0.88 GNAI3 (0.74) GNAO1GNAI3GNAI1KDM4EGAA
SCHEMBL18092757 0.88 GNAI3 (0.74) GNAO1GNAI3GNAI1KDM4EGAA
SCHEMBL508711 0.88 HRH3 (0.52) GNAO1GNAI3GNAI1
SCHEMBL6345121 0.88 GNAI3 (0.74) GNAO1GNAI3GNAI1KDM4EGAA
SCHEMBL1043420 0.88 GNAI3 (0.74) GNAO1GNAI3GNAI1KDM4EGAA
SCHEMBL1043024 0.88 GNAI3 (0.74) GNAO1GNAI3GNAI1KDM4EGAA

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
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
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