SCHEMBL5159359

SCHEMBL5159359

CC(C)(C)OC(=O)N1CCCC[C@@H]1CC(C(O)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 1/20 0.42
▸ JAK2 O60674 1/20 0.41
▸ JAK1 P23458 1/20 0.41
▸ PRMT5 O14744 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ NPC1 O15118 1/20 0.39
▸ RAB9A P51151 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ ATM Q13315 3/20 0.39
▸ OPRD1 P41143 1/20 0.39
▸ FKBP1A P62942 3/20 0.39
▸ KLK7 P49862 1/20 0.39
▸ NR1H2 P55055 2/20 0.38
▸ NR1H3 Q13133 2/20 0.38
▸ ACE P12821 1/20 0.38
▸ CPT2 P23786 1/20 0.38
▸ CPT1A P50416 1/20 0.38
▸ L3MBTL1 Q9Y468 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
SCHEMBL5156033 1.00 KDM1A (0.42) KDM1AJAK2JAK1PRMT5MEN1
SCHEMBL5153000 0.97 OPRD1 (0.42) KDM1AJAK2JAK1PRMT5MEN1
SCHEMBL475536 0.88 KLK7 (0.38) KDM1AJAK2JAK1PRMT5MEN1
SCHEMBL5159126 0.84 AGTR2 (0.42) JAK2JAK1NR1H2NR1H3
SCHEMBL5155901 0.84 CETP (0.41) JAK2JAK1KMT2AL3MBTL1
SCHEMBL5158541 0.80 JAK2 (0.38) JAK2JAK1ATMOPRD1
SCHEMBL5156143 0.80 KDM1A (0.37) KDM1APRMT5MEN1KMT2AATM
SCHEMBL5157337 0.80 JAK2 (0.38) JAK2JAK1ATMNR1H2NR1H3
SCHEMBL21216253 0.79 KDM1A (0.42) KDM1AJAK2JAK1PRMT5ATM
SCHEMBL21202236 0.79 KDM1A (0.42) KDM1AJAK2JAK1PRMT5ATM

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
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