SCHEMBL14539601

SCHEMBL14539601

COC(=O)[C@H]1CCCCC[C@H]1NC(C)=O

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 6/20 0.56
PSEN2 P49810 6/20 0.56
APH1B Q8WW43 6/20 0.56
NCSTN Q92542 6/20 0.56
APH1A Q96BI3 6/20 0.56
PSENEN Q9NZ42 6/20 0.56
CNR2 P34972 1/20 0.49
TAS1R3 Q7RTX0 2/20 0.47
TAS1R1 Q7RTX1 2/20 0.47
SLC6A2 P23975 2/20 0.41
SLC6A4 P31645 1/20 0.41
POLB P06746 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM4 P08173 1/20 0.38
CHRM3 P20309 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
CPB1 P15086 1/20 0.36

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
SCHEMBL14542465 0.98 PSEN1 (0.57) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5657949 0.94 PSEN1 (0.62) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5658089 0.83 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5658093 0.83 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL5658096 0.83 PSEN1 (0.50) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL13448701 0.81 PSEN1 (0.80) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL14539583 0.81 PSEN1 (0.51) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL24440167 0.80 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL23182243 0.80 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL9846731 0.80 PSEN1 (0.58) PSEN1PSEN2APH1BNCSTNAPH1A

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
US-7214813-B2 Preparation of chiral cyclic amino acids and derivatives THE PENN STATE RESEARCH FOUNDATION (US) 2007-05-08 US disclosed