SCHEMBL21782891

SCHEMBL21782891

CC(C)(C)OC(=O)N1CCN(c2ncnc3c2CC[C@H]3O)CC1

nearest known ligand 0.48

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KIT P10721 2/20 0.48
GPR119 Q8TDV5 8/20 0.45
MAP4K4 O95819 1/20 0.43
CNR1 P21554 1/20 0.42
CNR2 P34972 1/20 0.42
DDB1 Q16531 2/20 0.41
CRBN Q96SW2 2/20 0.41
CKS1B P61024 1/20 0.40
SKP1 P63208 1/20 0.40
SKP2 Q13309 1/20 0.40
PDE10A Q9Y233 1/20 0.40
ALDH1A1 P00352 1/20 0.40
LMNA P02545 1/20 0.40
MAPT P10636 1/20 0.40
OPRM1 P35372 1/20 0.39
OPRD1 P41143 1/20 0.39
OGFRL1 Q5TC84 1/20 0.39
PIK3CD O00329 1/20 0.39

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
SCHEMBL191532 1.00 KIT (0.48) KITGPR119MAP4K4CNR1CNR2
SCHEMBL191269 0.85 KIT (0.45) KITGPR119MAP4K4CNR1CNR2
SCHEMBL15451607 0.83 ACHE (0.45) MAP4K4CNR2PDE10AALDH1A1
SCHEMBL2797835 0.79 KIT (0.48) KITGPR119MAP4K4CNR1CNR2
SCHEMBL2797832 0.79 KIT (0.48) KITGPR119MAP4K4CNR1CNR2
SCHEMBL192136 0.79 AKT1 (0.55)
SCHEMBL190926 0.79 AKT1 (0.55)
SCHEMBL29391120 0.79 AKT1 (0.55)
SCHEMBL192707 0.79 AKT1 (0.55)
SCHEMBL192135 0.79 AKT1 (0.55)

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
EP-3617330-A1 BIOMARKERS FOR PREDICTING SENSITIVITY TO CANCER TREATMENTS Genentech, Inc. (US) 2020-03-04 EP disclosed