SCHEMBL5159070

SCHEMBL5159070

CC(C)(C)OC(=O)N1CCCC[C@@H]1CC(N)C(O)c1cc(F)cc(F)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDE8B O95263 1/20 0.40
▸ ALOX5AP P20292 1/20 0.39
▸ FEN1 P39748 1/20 0.39
▸ DPP4 P27487 1/20 0.39
▸ KDM1A O60341 1/20 0.38
▸ ATM Q13315 2/20 0.38
▸ CHEK2 O96017 1/20 0.37
▸ APP P05067 1/20 0.37
▸ HTR1A P08908 1/20 0.37
▸ ADRA2A P08913 1/20 0.37
▸ DRD2 P14416 1/20 0.37
▸ ADRA2B P18089 1/20 0.37
▸ ADRA2C P18825 1/20 0.37
▸ SLC6A2 P23975 1/20 0.37
▸ HRH2 P25021 1/20 0.37
▸ HTR1D P28221 1/20 0.37
▸ HTR1B P28222 1/20 0.37
▸ HTR2A P28223 1/20 0.37
▸ HTR2C P28335 1/20 0.37
▸ HTR7 P34969 1/20 0.37

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
SCHEMBL5155797 0.97 ALOX5AP (0.42) PDE8BALOX5APFEN1DPP4ATM
SCHEMBL1584144 0.82 OPRD1 (0.45) ALOX5APFEN1DPP4KDM1ARIPK1
SCHEMBL4290107 0.80 DPP4 (0.32) DPP4ATMLMNANPSR1
SCHEMBL5156143 0.78 KDM1A (0.37) ALOX5APFEN1DPP4KDM1AATM
SCHEMBL475536 0.77 KLK7 (0.38) ALOX5APFEN1KDM1AAPPHTR1A
SCHEMBL4293304 0.76 TACR1 (0.34) DPP4
SCHEMBL3855646 0.76 DPP4 (0.41) PDE8BDPP4OPRK1RIPK1LMNA
SCHEMBL3855645 0.76 DPP4 (0.41) PDE8BDPP4OPRK1RIPK1LMNA
SCHEMBL5156197 0.75 LMNA (0.36) ALOX5APFEN1DPP4KDM1AATM
SCHEMBL10132458 0.74 LMNA (0.41) RIPK1LMNANPSR1MEN1KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1740575-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2007-01-10 — — EP disclosed
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
WO-2005108358-A2 PYRROLIDINE DERIVATIVES USEFUL AS BACE INHIBITORS ELI LILLY AND COMPANY (US) 2005-11-17 — — WO disclosed
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