SCHEMBL5158541

SCHEMBL5158541

CC(C)(C)OC(=O)N1[C@@H](CC(C(O)c2ccccc2)N(Cc2ccccc2)Cc2ccccc2)CCC1(C)C

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ JAK2 O60674 1/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ PLG P00747 1/20 0.35
▸ GPR119 Q8TDV5 2/20 0.35
▸ STS P08842 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PKM P14618 1/20 0.34
▸ HSD11B1 P28845 1/20 0.33
▸ OPRD1 P41143 1/20 0.33
▸ OPRK1 P41145 1/20 0.33
▸ ATM Q13315 1/20 0.33
▸ CETP P11597 1/20 0.33
▸ PTPRB P23467 1/20 0.33
▸ PTPN11 Q06124 1/20 0.33
▸ HCRTR1 O43613 1/20 0.33
▸ PDE4A P27815 1/20 0.33
▸ PDE4B Q07343 1/20 0.33
▸ PDE4C Q08493 1/20 0.33
▸ PDE4D Q08499 1/20 0.33

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
SCHEMBL5159464 0.82 ATM (0.36) PLGGPR119STSKDM4EPKM
SCHEMBL5153000 0.81 OPRD1 (0.42) JAK2JAK1GPR119OPRD1ATM
SCHEMBL5159359 0.80 KDM1A (0.42) JAK2JAK1OPRD1ATM
SCHEMBL5156033 0.80 KDM1A (0.42) JAK2JAK1OPRD1ATM
SCHEMBL5155901 0.80 CETP (0.41) JAK2JAK1GPR119CETP
SCHEMBL3855631 0.79 JAK2 (0.39) JAK2JAK1PLGGPR119STS
SCHEMBL5159126 0.78 AGTR2 (0.42) JAK2JAK1
SCHEMBL5157337 0.77 JAK2 (0.38) JAK2JAK1GPR119STSHSD11B1
SCHEMBL475536 0.73 KLK7 (0.38) JAK2JAK1GPR119OPRD1OPRK1
SCHEMBL5156671 0.71 JAK2 (0.36) JAK2JAK1ATM

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