SCHEMBL8196121

SCHEMBL8196121

C=C(OC(C)(C)C)N1CCSc2cc(C(C)=O)c(O)cc2C1

nearest known ligand 0.39

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RYR2 Q92736 19/20 0.39
ESR2 Q92731 1/20 0.35

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
SCHEMBL6867068 0.89 ESR2 (0.46) RYR2ESR2
SCHEMBL10074436 0.84 ESR2 (0.45) RYR2ESR2
SCHEMBL8198911 0.83 RYR2 (0.38) RYR2ESR2
SCHEMBL26344291 0.82 RYR2 (0.43) RYR2
SCHEMBL8210074 0.81 RYR2 (0.35) RYR2ESR2
SCHEMBL8218006 0.78 ESR2 (0.46) RYR2ESR2
SCHEMBL8203545 0.77 RYR2 (0.53) RYR2
SCHEMBL12265359 0.76 RYR2 (0.43) RYR2ESR2
SCHEMBL8195959 0.75 RYR2 (0.45) RYR2
SCHEMBL6867410 0.74 NR1H2 (0.49) RYR2ESR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008060332-A9 METHODS FOR TREATING OR REDUCING MUSCLE FATIGUE TRUSTESS OF COLUMBIA UNIVERSIT (US) 2008-07-10 WO disclosed
WO-2008060332-A2 METHODS FOR TREATING OR REDUCING MUSCLE FATIGUE THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-05-22 WO disclosed
WO-2008021439-A2 COMPOSITIONS AND METHODS FOR TREATMENT OF CARDIAC HYPERTROPHY THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2008-02-21 WO disclosed