SCHEMBL8083546

SCHEMBL8083546

CC(C)C[C@H](NCC(c1ccccc1)c1ccccc1)C(N)=O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ERAP2 Q6P179 1/20 0.45
ERAP1 Q9NZ08 1/20 0.45
LNPEP Q9UIQ6 1/20 0.45
MMP9 P14780 2/20 0.45
MMP14 P50281 2/20 0.45
MMP8 P22894 1/20 0.45
APAF1 O14727 1/20 0.44
MME P08473 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
BCHE P06276 1/20 0.43
MMP1 P03956 3/20 0.42
FCER2 P06734 2/20 0.42
MMP3 P08254 2/20 0.42
MMP2 P08253 1/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
BCAT2 O15382 1/20 0.41
CTSL P07711 1/20 0.41
CTSS P25774 1/20 0.41

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
SCHEMBL7319574 0.88 CASR (0.53) ERAP2ERAP1LNPEPMMP9MMP14
SCHEMBL7306322 0.80 APAF1 (0.49) APAF1BCHEMTNR1AMTNR1BBCAT2
SCHEMBL7310003 0.80 MMP1 (0.39) ERAP2ERAP1LNPEPMMP9MMP1
SCHEMBL30164272 0.80 GGT1 (0.55) ERAP2ERAP1LNPEPMMEMMP1
SCHEMBL1792753 0.79 PSMB5 (0.54) MMP8MMEALDH1A1MMP1FCER2
SCHEMBL1792750 0.79 PSMB5 (0.54) MMP8MMEALDH1A1MMP1FCER2
SCHEMBL7317031 0.79 MMP9 (0.46) ERAP2ERAP1LNPEPMMP9MMP14
Hydrochloric Acid SCHEMBL30164377 0.79 GGT1 (0.54) ERAP2ERAP1LNPEPMMEMMP1
Hydrochloric Acid SCHEMBL30164236 0.79 GGT1 (0.54) ERAP2ERAP1LNPEPMMEMMP1
SCHEMBL7317844 0.78 GAA (0.43) ALDH1A1LMNAMTNR1AMTNR1B

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-1041064-A2 N-substituted alpha aminoacid amides as calcium channel modulators ELI LILLY AND COMPANY LIMITED (GB) 2000-10-04 EP disclosed