SCHEMBL7315451

SCHEMBL7315451

CC(C)C(CCCCC(=O)[N@@+]1(C(c2ccccc2)c2ccccc2)CCCC1C(N)=O)(CN1C(=O)CCC1=O)c1ccccc1

nearest known ligand 0.30

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 1/20 0.30
PTGER2 P43116 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
SCHEMBL7305146 0.85
SCHEMBL7310741 0.85 CHRM2 (0.30)
SCHEMBL7317382 0.79
SCHEMBL7314910 0.79 CACNA1G (0.38)
SCHEMBL7308385 0.79 EBP (0.39)
SCHEMBL7313549 0.75 PTGER4 (0.39) PTGER4PTGER2
SCHEMBL7315081 0.74
SCHEMBL7318716 0.74
SCHEMBL7314199 0.74
SCHEMBL7309070 0.72 EBP (0.39)

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
EP-0805147-A1 Novel N-substituted alpha aminoacid amides as calcium channel modulators LILLY INDUSTRIES LIMITED (GB) 1997-11-05 EP disclosed