SCHEMBL6821991

SCHEMBL6821991

CC(Cc1ccccc1)OC(=O)N(C)CC1COC(C)(C)N1C(=O)OC(C)(C)C

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.36
SPHK1 Q9NYA1 1/20 0.36
KMT2A Q03164 4/20 0.35
ATM Q13315 2/20 0.35
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
MAPK1 P28482 2/20 0.35
MEN1 O00255 2/20 0.34
BRD4 O60885 1/20 0.34
HCRTR1 O43613 1/20 0.33
POLB P06746 1/20 0.33
MAPT P10636 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
GPR55 Q9Y2T6 1/20 0.33
GAA P10253 1/20 0.33
THRB P10828 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL6821990 0.83 SPHK1 (0.39) SPHK1KMT2AMEN1POLBSMN1; SMN2
SCHEMBL6719418 0.81 GPR119 (0.38) GPR119SPHK1KMT2AATMMAPK1
SCHEMBL2081890 0.79 SPHK1 (0.41) GPR119SPHK1KMT2AJAK2JAK1
SCHEMBL2081892 0.79 SPHK1 (0.41) GPR119SPHK1KMT2AJAK2JAK1
SCHEMBL4444035 0.79 SIGMAR1 (0.42) GPR119SPHK1KMT2AATMMAPK1
SCHEMBL2082664 0.79 SPHK1 (0.39) GPR119SPHK1BRD4
SCHEMBL2082667 0.79 SPHK1 (0.39) GPR119SPHK1BRD4
SCHEMBL2082536 0.78 GPR119 (0.36) GPR119SPHK1KMT2ABRD4
SCHEMBL2082537 0.78 GPR119 (0.36) GPR119SPHK1KMT2ABRD4
SCHEMBL2079201 0.78 SLC6A2 (0.40) GPR119SPHK1JAK2JAK1BRD4

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-2004089915-A1 PIPERAZINE DERIVATIVE RENIN INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2004-10-21 WO disclosed