SCHEMBL7308566

SCHEMBL7308566

CC(C)[C@@](C#N)(CCCCC(=O)N1C[C@@H]2C[C@H]2C1C(=O)NC(c1ccccc1)c1ccccc1)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.36
SIGMAR1 Q99720 2/20 0.36
XIAP P98170 7/20 0.34
BIRC3 Q13489 7/20 0.34
BIRC2 Q13490 7/20 0.34
CFD P00746 3/20 0.33
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
KMT2A Q03164 1/20 0.32
CACNA1B Q00975 1/20 0.32
LMNA P02545 1/20 0.31
DPP4 P27487 1/20 0.31
DPP8 Q6V1X1 1/20 0.31
STAT3 P40763 2/20 0.31

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
SCHEMBL7308559 1.00 EBP (0.36) EBPSIGMAR1XIAPBIRC3BIRC2
SCHEMBL7305041 0.84 XIAP (0.38) EBPSIGMAR1XIAPBIRC3BIRC2
SCHEMBL7305036 0.84 XIAP (0.38) EBPSIGMAR1XIAPBIRC3BIRC2
SCHEMBL7305045 0.84 XIAP (0.38) EBPSIGMAR1XIAPBIRC3BIRC2
SCHEMBL7317417 0.84 XIAP (0.38) EBPSIGMAR1XIAPBIRC3BIRC2
SCHEMBL8083547 0.81 TACR1 (0.44) XIAPBIRC3BIRC2CFDDPP4
SCHEMBL7308379 0.81 TACR1 (0.44) XIAPBIRC3BIRC2CFDDPP4
SCHEMBL7308390 0.81 TACR1 (0.44) XIAPBIRC3BIRC2CFDDPP4
SCHEMBL7309067 0.75 ACE (0.41) GAADPP4DPP8
SCHEMBL7309074 0.75 ACE (0.41) GAADPP4DPP8

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