SCHEMBL10074953

SCHEMBL10074953

CC(C)(C)OC(=O)N1CCN(C(=O)N2CCOc3ccc(OC(F)(F)F)cc3C2)CC1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 6/20 0.46
GPR119 Q8TDV5 2/20 0.42
LIPE Q05469 1/20 0.39
PIK3CA P42336 2/20 0.39
USP2 O75604 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
ESR2 Q92731 1/20 0.39
NR1H2 P55055 1/20 0.38
SCD5 Q86SK9 1/20 0.38
PRMT5 O14744 1/20 0.38
WDR77 Q9BQA1 1/20 0.38
ABHD6 Q9BV23 2/20 0.38
DAGLA Q9Y4D2 1/20 0.38
HRH3 Q9Y5N1 1/20 0.38

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
SCHEMBL10075222 0.92 RIPK1 (0.46) RIPK1GPR119LIPEPIK3CAUSP2
SCHEMBL10070492 0.83 RYR2 (0.46) RIPK1PIK3CA
SCHEMBL10070995 0.80 RIPK1 (0.48) RIPK1PIK3CAESR2
SCHEMBL807151 0.78 RIPK1 (0.47) RIPK1PIK3CAESR2
SCHEMBL10074955 0.78 RIPK1 (0.47) RIPK1PIK3CAESR2
SCHEMBL14023336 0.78 RIPK1 (0.48) RIPK1PIK3CAESR2
SCHEMBL4789461 0.78 RIPK1 (0.43) RIPK1SMN1; SMN2PRMT5WDR77
SCHEMBL19657617 0.76 RIPK1 (0.64) RIPK1GPR119PIK3CAUSP2SMN1; SMN2
SCHEMBL30405260 0.75 RIPK1 (0.48) RIPK1PIK3CAUSP2SMN1; SMN2ESR2
SCHEMBL13765601 0.75 RIPK1 (0.48) RIPK1GPR119PIK3CAUSP2SMN1; SMN2

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-2012019071-A1 METHODS OF PREVENTING AND TREATING SARCOPENIA THE TRUSTEES OF COLUMBIA UNIVERSITY IN THE CITY OF NEW YORK (US) 2012-02-09 WO disclosed