SCHEMBL7310779

SCHEMBL7310779

CC(C)[C@@](C#N)(CCCCC(=O)[N@@+]1(CCc2ccc([N+](=O)[O-])cc2)CCCC1C(N)=O)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 3/20 0.38
EBP Q15125 2/20 0.38
EPHX1 P07099 1/20 0.33
ALDH1A1 P00352 2/20 0.32
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
DPP9 Q86TI2 1/20 0.31
DPP7 Q9UHL4 1/20 0.31
HTR2A P28223 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
LMNA P02545 1/20 0.31
CCR5 P51681 1/20 0.31
MEN1 O00255 2/20 0.30
CACNA1B Q00975 1/20 0.30

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
SCHEMBL7318697 0.93 EBP (0.35) SIGMAR1EBPEPHX1ALDH1A1DPP4
SCHEMBL7301361 0.91 EBP (0.45) SIGMAR1EBPHTR2ALMNACACNA1B
SCHEMBL7305480 0.88 EBP (0.44) SIGMAR1EBPEPHX1CACNA1B
SCHEMBL7309523 0.87 EBP (0.43) SIGMAR1EBPEPHX1CACNA1B
SCHEMBL7316069 0.84 EBP (0.38) SIGMAR1EBPEPHX1DPP4DPP8
SCHEMBL7308551 0.84 EBP (0.37) SIGMAR1EBPCACNA1B
SCHEMBL7306036 0.84 EBP (0.41) SIGMAR1EBPCACNA1B
SCHEMBL7316565 0.84 EBP (0.37) SIGMAR1EBPCACNA1B
SCHEMBL7315116 0.83 EBP (0.36) SIGMAR1EBPCACNA1B
SCHEMBL7311070 0.83 CACNA1B (0.38) SIGMAR1EBPHTR2AMAPTKMT2A

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-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed