SCHEMBL7314098

SCHEMBL7314098

N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)NC(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 3/20 0.57
LTA4H P09960 8/20 0.55
LAP3 P28838 1/20 0.54
PPARG P37231 4/20 0.52
PPARA Q07869 2/20 0.51
MMP9 P14780 1/20 0.51
MMP8 P22894 1/20 0.51

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
SCHEMBL8359814 0.87 CTSC (0.61) LTA4H
SCHEMBL12340094 0.87 CTSC (0.61) LTA4H
Hydrochloric Acid SCHEMBL3382552 0.85 CTSC (0.60) LTA4H
SCHEMBL27386689 0.84 LTA4H (0.65) LNPEPLTA4HLAP3PPARGPPARA
SCHEMBL11760152 0.84 LNPEP (0.59) LNPEPLTA4HLAP3PPARGPPARA
SCHEMBL7281929 0.83 MMP9 (0.63) LNPEPLTA4HLAP3PPARGMMP9
SCHEMBL7698099 0.82 LNPEP (0.59) LNPEPLTA4HLAP3
Hydrochloric Acid SCHEMBL27315039 0.82 MMP9 (0.62) LNPEPLTA4HLAP3PPARGMMP9
Hydrochloric Acid SCHEMBL10350044 0.82 MMP9 (0.62) LNPEPLTA4HLAP3PPARGMMP9
SCHEMBL10723771 0.82 LNPEP (0.54) LNPEPLTA4HLAP3PPARGPPARA

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