SCHEMBL6821990

SCHEMBL6821990

CN(C[C@H]1COC(C)(C)N1C(=O)OC(C)(C)C)C(=O)OCCCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 1/20 0.39
CHRM5 P08912 1/20 0.38
CHRM1 P11229 1/20 0.38
CHRM3 P20309 1/20 0.38
FKBP1A P62942 6/20 0.37
MEN1 O00255 1/20 0.35
POLB P06746 1/20 0.35
KMT2A Q03164 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL6821991 0.83 GPR119 (0.36) SPHK1MEN1POLBKMT2ASMN1; SMN2
SCHEMBL6719414 0.81 MEN1 (0.39) SPHK1FKBP1AMEN1POLBKMT2A
SCHEMBL14338696 0.80 SPHK1 (0.42) SPHK1SIGMAR1
SCHEMBL14350826 0.80 SPHK1 (0.42) SPHK1SIGMAR1
SCHEMBL6924329 0.80 SPHK1 (0.42) SPHK1SIGMAR1
SCHEMBL2081892 0.78 SPHK1 (0.41) SPHK1MEN1KMT2A
SCHEMBL2081890 0.78 SPHK1 (0.41) SPHK1MEN1KMT2A
SCHEMBL3612306 0.77 SPHK1 (0.40) SPHK1
SCHEMBL3612312 0.77 SPHK1 (0.40) SPHK1
SCHEMBL2079206 0.77 SLC6A2 (0.40) SPHK1

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