SCHEMBL8203767

SCHEMBL8203767

C=C(OC(C)(C)C)N1CCSc2ccc(N3CCOCC3)cc2C1

nearest known ligand 0.41

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ABHD6 Q9BV23 2/20 0.41
RYR2 Q92736 14/20 0.40
IDH1 O75874 1/20 0.38
LGMN Q99538 2/20 0.37
GPR119 Q8TDV5 1/20 0.36

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
SCHEMBL807129 0.87 ABHD6 (0.48) ABHD6RYR2IDH1GPR119
SCHEMBL8195959 0.81 RYR2 (0.45) RYR2
SCHEMBL8218006 0.81 ESR2 (0.46) RYR2
SCHEMBL12265290 0.80 RYR2 (0.46) ABHD6RYR2
SCHEMBL8221637 0.79 RYR2 (0.63) RYR2
SCHEMBL12920654 0.78 RYR2 (0.47) ABHD6RYR2
SCHEMBL8224013 0.78 RYR2 (0.43) RYR2
SCHEMBL8219113 0.77 RYR2 (0.42) RYR2
SCHEMBL8203545 0.75 RYR2 (0.53) RYR2
SCHEMBL8192369 0.74 RYR2 (0.43) RYR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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