SCHEMBL7303551

SCHEMBL7303551

CC(C)[C@H](NCc1ccccc1)C(=O)NCCC[C@@](C#N)(c1ccccc1)C(C)C

nearest known ligand 0.48

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
EBP Q15125 2/20 0.48
SIGMAR1 Q99720 2/20 0.48
KMT2A Q03164 2/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP3A4 P08684 2/20 0.40
ADAM17 P78536 1/20 0.40
MEP1B Q16820 2/20 0.40
ABCB1 P08183 2/20 0.39
CYP3A5 P20815 1/20 0.39
TLR2 O60603 1/20 0.39
CTSD P07339 2/20 0.38
ALDH1A1 P00352 1/20 0.38

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
SCHEMBL7305541 0.86 EBP (0.43) EBPSIGMAR1KMT2ACYP2D6CYP2C9
SCHEMBL7306594 0.86 EBP (0.43) EBPSIGMAR1KMT2ACYP2D6CYP2C9
SCHEMBL7307758 0.85 EBP (0.43) EBPSIGMAR1KMT2ACYP2D6CYP2C9
SCHEMBL7314206 0.85 EBP (0.43) EBPSIGMAR1KMT2ACYP2D6CYP2C9
SCHEMBL7318454 0.84 EBP (0.43) EBPSIGMAR1KMT2ACYP2D6CYP2C9
SCHEMBL7314222 0.84 EBP (0.44) EBPSIGMAR1KMT2ACYP2D6CYP2C9
SCHEMBL7316588 0.83 TLR2 (0.45) EBPSIGMAR1TLR2
SCHEMBL7315152 0.80 EBP (0.39) EBPSIGMAR1KMT2AL3MBTL1CYP3A4
SCHEMBL7307560 0.80 LMNA (0.40) EBPSIGMAR1KMT2AL3MBTL1CYP3A4
SCHEMBL7312025 0.80 EBP (0.40) EBPSIGMAR1KMT2ACYP2D6CYP2C9

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