SCHEMBL5311580

SCHEMBL5311580

COc1ccc(N2CCN(C(=O)OC(C)(C)C)[C@@H](CC(C(O)c3cc(F)cc(F)c3)N(Cc3ccccc3)Cc3ccccc3)C2=O)cc1

nearest known ligand 0.34

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.34
▸ HTT P42858 1/20 0.34
▸ NPSR1 Q6W5P4 1/20 0.34
▸ TP53 P04637 1/20 0.34
▸ CETP P11597 3/20 0.34
▸ ADORA2A P29274 1/20 0.34
▸ SLC2A1 P11166 1/20 0.33
▸ LIPE Q05469 2/20 0.33
▸ GHSR Q92847 1/20 0.33
▸ MAPT P10636 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ NR1H2 P55055 3/20 0.33
▸ NR1H3 Q13133 3/20 0.33
▸ GPR119 Q8TDV5 1/20 0.33
▸ MEN1 O00255 1/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ ROCK2 O75116 1/20 0.32
▸ CCR3 P51677 1/20 0.32

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
SCHEMBL5311579 1.00 LMNA (0.34) LMNAHTTNPSR1TP53CETP
SCHEMBL4359839 0.83 ADORA2A (0.36) LMNAHTTNPSR1TP53CETP
SCHEMBL4359842 0.83 ADORA2A (0.36) LMNAHTTNPSR1TP53CETP
SCHEMBL475536 0.78 KLK7 (0.38) NPSR1MAPTNR1H2NR1H3GPR119
SCHEMBL4368961 0.71 ROCK2 (0.37) LMNALIPEGHSRMAPTSMN1; SMN2
SCHEMBL4368964 0.71 ROCK2 (0.37) LMNALIPEGHSRMAPTSMN1; SMN2
SCHEMBL8293034 0.71 BACE1 (0.39) GPR119
SCHEMBL28466909 0.69 ALDH1A1 (0.44) LMNAHTTTP53LIPEMAPT
SCHEMBL12741933 0.69 BACE1 (0.42) —
SCHEMBL5153000 0.68 OPRD1 (0.42) NR1H2NR1H3GPR119MEN1KMT2A

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-1740573-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 — — EP disclosed
WO-2005108391-A1 AMIDES AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 — — WO disclosed
Send feedback