SCHEMBL6203854

SCHEMBL6203854

CC(C)(C)OC(=O)N1CCN(C(=O)c2ncc[nH]2)CC1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.53
PARP1 P09874 1/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
GPR119 Q8TDV5 5/20 0.46
ATM Q13315 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CFTR P13569 1/20 0.42
USP2 O75604 1/20 0.42
HTT P42858 2/20 0.41

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
SCHEMBL6993097 0.82 GPR119 (0.51) KMT2AGPR119
SCHEMBL2423448 0.80 FAAH (0.52) GPR119
SCHEMBL2423946 0.79 HRH4 (0.51) POLBSMN1; SMN2HTT
SCHEMBL5234761 0.77 KIT (0.47) POLBGPR119
SCHEMBL30636902 0.77 HTT (0.50) PARP1KMT2ASMN1; SMN2HTT
SCHEMBL18123360 0.77 POLB (0.65) POLBPARP1MEN1KMT2AGPR119
SCHEMBL948255 0.76 GPR119 (0.53) POLBGPR119HTT
SCHEMBL2424622 0.76 HTT (0.49) KMT2ASMN1; SMN2USP2HTT
SCHEMBL22468956 0.76 ALDH1A1 (0.54) MEN1KMT2AGPR119HTT
SCHEMBL13741691 0.75 HTT (0.44) SMN1; SMN2HTT

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
EP-1539178-A2 PROTEASE INHIBITORS SmithKline Beecham Corporation (US) 2005-06-15 EP disclosed
WO-2004017911-A2 PROTEASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2004-03-04 WO disclosed