SCHEMBL7305038

SCHEMBL7305038

CC(C)[C@@](C#N)(CCCCC(=O)[N@@+]1(C(c2ccccc2)c2ccccc2)C[C@@H](O)CC1C(N)=O)c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.39
SIGMAR1 Q99720 2/20 0.39
CACNA1B Q00975 2/20 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
SCHEMBL7317409 1.00 EBP (0.39) EBPSIGMAR1CACNA1B
SCHEMBL8083545 0.85 EBP (0.39) EBPSIGMAR1CACNA1B
SCHEMBL7308385 0.85 EBP (0.39) EBPSIGMAR1CACNA1B
SCHEMBL7314964 0.83
SCHEMBL7309070 0.80 EBP (0.39) EBPSIGMAR1CACNA1B
SCHEMBL7314874 0.80 MAPT (0.33) EBPSIGMAR1
SCHEMBL7316695 0.75 EBP (0.36) EBPSIGMAR1CACNA1B
SCHEMBL7306630 0.75 EBP (0.39) EBPSIGMAR1CACNA1B
SCHEMBL7317510 0.74
SCHEMBL7319271 0.74 SLC22A2 (0.35) CACNA1B

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