SCHEMBL5155901

SCHEMBL5155901

CCC1CCCC(C[C@@H](C(O)c2ccccc2)N(Cc2ccccc2)Cc2ccccc2)N1C(=O)OC(C)(C)C

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ CETP P11597 6/20 0.41
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ GPR119 Q8TDV5 1/20 0.36
▸ CYP1A2 P05177 2/20 0.36
▸ CYP2D6 P10635 2/20 0.36
▸ HIF1A Q16665 1/20 0.36
▸ TP53 P04637 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ L3MBTL1 Q9Y468 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ NFKB1 P19838 1/20 0.35

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
SCHEMBL5153000 0.85 OPRD1 (0.42) JAK2JAK1GPR119KMT2A
SCHEMBL5159359 0.84 KDM1A (0.42) JAK2JAK1KMT2AL3MBTL1
SCHEMBL5156033 0.84 KDM1A (0.42) JAK2JAK1KMT2AL3MBTL1
SCHEMBL4360263 0.81 CETP (0.40) CETPJAK2JAK1GPR119KMT2A
SCHEMBL5158541 0.80 JAK2 (0.38) CETPJAK2JAK1GPR119
SCHEMBL475536 0.77 KLK7 (0.38) JAK2JAK1GPR119KMT2A
SCHEMBL5159126 0.76 AGTR2 (0.42) JAK2JAK1
SCHEMBL5157337 0.73 JAK2 (0.38) JAK2JAK1GPR119
SCHEMBL14311382 0.73 RIPK1 (0.49) CETPGPR119
SCHEMBL4356137 0.71 L3MBTL1 (0.39) CETPGPR119KMT2AL3MBTL1

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