SCHEMBL10730867

SCHEMBL10730867

CCOC(=O)N1CCN(CCCOC(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.65

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HRH2 P25021 12/20 0.61
HRH1 P35367 12/20 0.61
KDM4E B2RXH2 1/20 0.59
ALDH1A1 P00352 1/20 0.59
TSHR P16473 1/20 0.59
GAA P10253 1/20 0.57

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
SCHEMBL10737014 0.92 KDM4E (0.62) KDM4EALDH1A1TSHRGAA
SCHEMBL10551353 0.82 SIGMAR1 (0.71) ALDH1A1TSHR
SCHEMBL10970911 0.82 HRH2 (0.58) HRH2HRH1KDM4EALDH1A1TSHR
SCHEMBL10576764 0.81 SIGMAR1 (0.62) ALDH1A1TSHR
SCHEMBL11643622 0.81 SLC6A4 (0.60) ALDH1A1TSHR
Hydrochloric Acid SCHEMBL11642419 0.80 SLC6A4 (0.59) ALDH1A1TSHR
SCHEMBL10970913 0.80 HRH2 (0.58) HRH2HRH1KDM4EALDH1A1TSHR
SCHEMBL10730870 0.80 ALDH1A1 (0.73) KDM4EALDH1A1TSHRGAA
SCHEMBL9819950 0.80 ALDH1A1 (0.62) KDM4EALDH1A1TSHRGAA
SCHEMBL10357706 0.79 SIGMAR1 (0.77) ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4673684-A Amide derivatives and 5-lipoxygenase inhibitors containing the same as an active ingredient TERUMO CORPORATION (JP) 1987-06-16 US disclosed
EP-0157420-A2 Amide derivatives and 5-lipoxygenase inhibitors containing the same as an active ingredient TERUMO KABUSHIKI KAISHA trading as TERUMO CORPORATION (JP) 1985-10-09 EP disclosed